Quinolines and derivatives
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Filtered Search Results
8-Hydroxyquinoline (White to Light-Buff Needles or Powder), Fisher BioReagents
CAS: 148-24-3 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006807 InChI Key: MCJGNVYPOGVAJF-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin PubChem CID: 1923 ChEBI: CHEBI:48981 IUPAC Name: quinolin-8-ol SMILES: OC1=C2N=CC=CC2=CC=C1
| PubChem CID | 1923 |
|---|---|
| CAS | 148-24-3 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:48981 |
| MDL Number | MFCD00006807 |
| SMILES | OC1=C2N=CC=CC2=CC=C1 |
| Synonym | 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin |
| IUPAC Name | quinolin-8-ol |
| InChI Key | MCJGNVYPOGVAJF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
Isoquinolin-3-amine, 97%, Thermo Scientific™
CAS: 25475-67-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.177 InChI Key: VYCKDIRCVDCQAE-UHFFFAOYSA-N Synonym: 3-aminoisoquinoline,3-isoquinolinamine,isoquinolin-3-ylamine,isoquinoline, 3-amino,3-isoquinolylamine,isoquinoline-3-amine,chembl61743,2h-isoquinolin-3-imine,isoquinolin-3-imine,zlchem 309 PubChem CID: 311869 IUPAC Name: isoquinolin-3-amine SMILES: C1=CC=C2C=NC(=CC2=C1)N
| PubChem CID | 311869 |
|---|---|
| CAS | 25475-67-6 |
| Molecular Weight (g/mol) | 144.177 |
| SMILES | C1=CC=C2C=NC(=CC2=C1)N |
| Synonym | 3-aminoisoquinoline,3-isoquinolinamine,isoquinolin-3-ylamine,isoquinoline, 3-amino,3-isoquinolylamine,isoquinoline-3-amine,chembl61743,2h-isoquinolin-3-imine,isoquinolin-3-imine,zlchem 309 |
| IUPAC Name | isoquinolin-3-amine |
| InChI Key | VYCKDIRCVDCQAE-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
Ethidium Bromide, Fisher BioReagents
CAS: 1239-45-8 Molecular Formula: C21H20BrN3 Molecular Weight (g/mol): 394.32 MDL Number: MFCD00011724 InChI Key: ZMMJGEGLRURXTF-UHFFFAOYSA-N Synonym: ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l PubChem CID: 14710 ChEBI: CHEBI:4883 IUPAC Name: 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide SMILES: [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12
| PubChem CID | 14710 |
|---|---|
| CAS | 1239-45-8 |
| Molecular Weight (g/mol) | 394.32 |
| ChEBI | CHEBI:4883 |
| MDL Number | MFCD00011724 |
| SMILES | [Br-].CC[N+]1=C(C2=CC=CC=C2)C2=CC(N)=CC=C2C2=CC=C(N)C=C12 |
| Synonym | ethidium bromide,homidium bromide,dromilac,3,8-diamino-5-ethyl-6-phenylphenanthridinium bromide,ethydium bromide,3,8-diamino-5-ethyl-6-phenylphenanthridin-5-ium bromide,etbr,2,7-diamino-10-ethyl-9-phenylphenanthridinium bromide,2,7-diamino-9-phenyl-10-ethylphenanthridinium bromide,unii-059nuo2z1l |
| IUPAC Name | 5-ethyl-6-phenylphenanthridin-5-ium-3,8-diamine;bromide |
| InChI Key | ZMMJGEGLRURXTF-UHFFFAOYSA-N |
| Molecular Formula | C21H20BrN3 |
8-Hydroxyquinoline (Certified ACS), Fisher Chemical™
CAS: 148-24-3 Molecular Formula: C9H7NO Molecular Weight (g/mol): 145.16 MDL Number: MFCD00006807 InChI Key: MCJGNVYPOGVAJF-UHFFFAOYSA-N Synonym: 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin PubChem CID: 1923 ChEBI: CHEBI:48981 IUPAC Name: quinolin-8-ol SMILES: OC1=C2N=CC=CC2=CC=C1
| PubChem CID | 1923 |
|---|---|
| CAS | 148-24-3 |
| Molecular Weight (g/mol) | 145.16 |
| ChEBI | CHEBI:48981 |
| MDL Number | MFCD00006807 |
| SMILES | OC1=C2N=CC=CC2=CC=C1 |
| Synonym | 8-hydroxyquinoline,8-quinolinol,oxyquinoline,oxine,quinophenol,8-quinol,8-oxyquinoline,phenopyridine,oxychinolin,bioquin |
| IUPAC Name | quinolin-8-ol |
| InChI Key | MCJGNVYPOGVAJF-UHFFFAOYSA-N |
| Molecular Formula | C9H7NO |
7-Aminoquinoline, 97%
CAS: 580-19-8 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.17 InChI Key: RZAUIOKDXQWSQE-UHFFFAOYSA-N Synonym: 7-aminoquinoline,7-quinolinamine,7-quinolylamine,quinoline, 7-amino,7-amino-quinoline,ccris 1682,7-quinolinamine 9ci,7-aminequinolin,7-aminequinoline,7-quinolinamine acetate PubChem CID: 11377 IUPAC Name: quinolin-7-amine SMILES: C1=CC2=C(C=C(C=C2)N)N=C1
| PubChem CID | 11377 |
|---|---|
| CAS | 580-19-8 |
| Molecular Weight (g/mol) | 144.17 |
| SMILES | C1=CC2=C(C=C(C=C2)N)N=C1 |
| Synonym | 7-aminoquinoline,7-quinolinamine,7-quinolylamine,quinoline, 7-amino,7-amino-quinoline,ccris 1682,7-quinolinamine 9ci,7-aminequinolin,7-aminequinoline,7-quinolinamine acetate |
| IUPAC Name | quinolin-7-amine |
| InChI Key | RZAUIOKDXQWSQE-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
2-Methyl-6-nitroquinoline, 98%
CAS: 613-30-9 Molecular Formula: C10H8N2O2 Molecular Weight (g/mol): 188.19 MDL Number: MFCD00051736 InChI Key: DXDPHHQJZWWAEH-UHFFFAOYSA-N Synonym: 6-nitroquinaldine,quinoline, 2-methyl-6-nitro,maybridge1_001441,acmc-1bb88,1-2-aminoethyl pyrrole-2,5-dione,hydrochloride PubChem CID: 69172 IUPAC Name: 2-methyl-6-nitroquinoline SMILES: CC1=CC=C2C=C(C=CC2=N1)[N+]([O-])=O
| PubChem CID | 69172 |
|---|---|
| CAS | 613-30-9 |
| Molecular Weight (g/mol) | 188.19 |
| MDL Number | MFCD00051736 |
| SMILES | CC1=CC=C2C=C(C=CC2=N1)[N+]([O-])=O |
| Synonym | 6-nitroquinaldine,quinoline, 2-methyl-6-nitro,maybridge1_001441,acmc-1bb88,1-2-aminoethyl pyrrole-2,5-dione,hydrochloride |
| IUPAC Name | 2-methyl-6-nitroquinoline |
| InChI Key | DXDPHHQJZWWAEH-UHFFFAOYSA-N |
| Molecular Formula | C10H8N2O2 |
Aripiprazole
CAS: 129722-12-9 Molecular Formula: C23H27Cl2N3O2 Molecular Weight (g/mol): 448.39 InChI Key: CEUORZQYGODEFX-UHFFFAOYSA-N Synonym: aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole PubChem CID: 60795 ChEBI: CHEBI:31236 IUPAC Name: 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one SMILES: C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl
| PubChem CID | 60795 |
|---|---|
| CAS | 129722-12-9 |
| Molecular Weight (g/mol) | 448.39 |
| ChEBI | CHEBI:31236 |
| SMILES | C1CC(=O)NC2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl |
| Synonym | aripiprazole,abilify,abilitat,abilify discmelt,discmelt,aripiprazol,opc 31,aripiprazole usan,aripiprazolum,aripirazole |
| IUPAC Name | 7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-3,4-dihydro-1H-quinolin-2-one |
| InChI Key | CEUORZQYGODEFX-UHFFFAOYSA-N |
| Molecular Formula | C23H27Cl2N3O2 |
Nicergoline
CAS: 27848-84-6 Molecular Formula: C24H26BrN3O3 Molecular Weight (g/mol): 484.394 MDL Number: MFCD00869626 InChI Key: YSEXMKHXIOCEJA-FVFQAYNVSA-N Synonym: nicergoline,nicotergoline,nimergoline,nimergoline base,nicergolinum,nicergolin,nicergolina,sermion,nicergolin german,nicergolina dcit PubChem CID: 34040 IUPAC Name: [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl 5-bromopyridine-3-carboxylate SMILES: CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br
| PubChem CID | 34040 |
|---|---|
| CAS | 27848-84-6 |
| Molecular Weight (g/mol) | 484.394 |
| MDL Number | MFCD00869626 |
| SMILES | CN1CC(CC2(C1CC3=CN(C4=CC=CC2=C34)C)OC)COC(=O)C5=CC(=CN=C5)Br |
| Synonym | nicergoline,nicotergoline,nimergoline,nimergoline base,nicergolinum,nicergolin,nicergolina,sermion,nicergolin german,nicergolina dcit |
| IUPAC Name | [(6aR,9R,10aS)-10a-methoxy-4,7-dimethyl-6a,8,9,10-tetrahydro-6H-indolo[4,3-fg]quinoline-9-yl]methyl 5-bromopyridine-3-carboxylate |
| InChI Key | YSEXMKHXIOCEJA-FVFQAYNVSA-N |
| Molecular Formula | C24H26BrN3O3 |
Difloxacin hydrochloride
CAS: 91296-86-5 Molecular Formula: C21H20ClF2N3O3 Molecular Weight (g/mol): 435.856 MDL Number: MFCD03840489 InChI Key: JFMGBGLSDVIOHL-UHFFFAOYSA-N Synonym: difloxacin hydrochloride,difloxacin hcl,unii-xj0260hj0o,abbott-56619,6-fluoro-1-4-fluorophenyl-7-4-methylpiperazin-1-yl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride,difloxacin hydrochloride usan,dsstox_cid_26599,dsstox_rid_81754,dsstox_gsid_46599 PubChem CID: 56205 IUPAC Name: 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride SMILES: CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl
| PubChem CID | 56205 |
|---|---|
| CAS | 91296-86-5 |
| Molecular Weight (g/mol) | 435.856 |
| MDL Number | MFCD03840489 |
| SMILES | CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=C(C=C4)F)F.Cl |
| Synonym | difloxacin hydrochloride,difloxacin hcl,unii-xj0260hj0o,abbott-56619,6-fluoro-1-4-fluorophenyl-7-4-methylpiperazin-1-yl-4-oxo-1,4-dihydroquinoline-3-carboxylic acid hydrochloride,difloxacin hydrochloride usan,dsstox_cid_26599,dsstox_rid_81754,dsstox_gsid_46599 |
| IUPAC Name | 6-fluoro-1-(4-fluorophenyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid;hydrochloride |
| InChI Key | JFMGBGLSDVIOHL-UHFFFAOYSA-N |
| Molecular Formula | C21H20ClF2N3O3 |
(+)-Quinidine
CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
| PubChem CID | 441074 |
|---|---|
| CAS | 56-54-2 |
| Molecular Weight (g/mol) | 324.42 |
| ChEBI | CHEBI:28593 |
| MDL Number | MFCD00135581,MFCD00198096 |
| SMILES | COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1 |
| Synonym | quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine |
| IUPAC Name | (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol |
| InChI Key | LOUPRKONTZGTKE-LHHVKLHASA-N |
| Molecular Formula | C20H24N2O2 |
Quinidine, 98%, anhydrous
CAS: 56-54-2 Molecular Formula: C20H24N2O2 Molecular Weight (g/mol): 324.42 MDL Number: MFCD00135581,MFCD00198096 InChI Key: LOUPRKONTZGTKE-LHHVKLHASA-N Synonym: quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine PubChem CID: 441074 ChEBI: CHEBI:28593 SMILES: COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1
| PubChem CID | 441074 |
|---|---|
| CAS | 56-54-2 |
| Molecular Weight (g/mol) | 324.42 |
| ChEBI | CHEBI:28593 |
| MDL Number | MFCD00135581,MFCD00198096 |
| SMILES | COC1=CC=C2N=CC=C([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)C2=C1 |
| Synonym | quinidine,+-quinidine,chinidin,pitayine,cin-quin,8r,9s-quinidine,conquinine,conchinin,quinidex,conchinine |
| InChI Key | LOUPRKONTZGTKE-LHHVKLHASA-N |
| Molecular Formula | C20H24N2O2 |
MilliporeSigma™ Propidium Iodide, Calbiochem™
CAS: 25535-16-4 Molecular Formula: C27H34I2N4 Molecular Weight (g/mol): 668.406 InChI Key: XJMOSONTPMZWPB-UHFFFAOYSA-M Synonym: propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide PubChem CID: 104981 ChEBI: CHEBI:51240 IUPAC Name: 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide SMILES: CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-]
| PubChem CID | 104981 |
|---|---|
| CAS | 25535-16-4 |
| Molecular Weight (g/mol) | 668.406 |
| ChEBI | CHEBI:51240 |
| SMILES | CC[N+](C)(CC)CCC[N+]1=C2C=C(C=CC2=C3C=CC(=CC3=C1C4=CC=CC=C4)N)N.[I-].[I-] |
| Synonym | propidium iodide,propidium diiodide,3,8-diamino-5-3-diethyl methyl ammonio propyl-6-phenylphenanthridin-5-ium iodide,unii-tp416o228t,3,8-diamino-5-3-diethylmethylammonio propyl-6-phenylphenanthridinium diiodide,3,8-diamino-5-3-diethylaminopropyl-6-phenylphenanthridinium iodide methiodide,phenanthridinium, 3,8-diamino-5-3-diethylmethylammonio propyl-6-phenyl-, diiodide |
| IUPAC Name | 3-(3,8-diamino-6-phenylphenanthridin-5-ium-5-yl)propyl-diethyl-methylazanium;diiodide |
| InChI Key | XJMOSONTPMZWPB-UHFFFAOYSA-M |
| Molecular Formula | C27H34I2N4 |
3,4-Dihydro-2(1H)-quinolinone, 98%
CAS: 553-03-7 Molecular Formula: C9H9NO Molecular Weight (g/mol): 147.18 MDL Number: MFCD00016722 InChI Key: TZOYXRMEFDYWDQ-UHFFFAOYSA-N Synonym: 3,4-dihydro-2 1h-quinolinone,3,4-dihydroquinolin-2 1h-one,hydrocarbostyril,1,2,3,4-tetrahydroquinolin-2-one,3,4-dihydrocarbostyril,2-oxo-1,2,3,4-tetrahydroquinoline,dihydro-quinolinone,3,4-dihydro-2-quinolinol,o-aminohydrocinnamic acid lactam,unii-2ckg6tx32f PubChem CID: 64796 IUPAC Name: 3,4-dihydro-1H-quinolin-2-one SMILES: O=C1CCC2=CC=CC=C2N1
| PubChem CID | 64796 |
|---|---|
| CAS | 553-03-7 |
| Molecular Weight (g/mol) | 147.18 |
| MDL Number | MFCD00016722 |
| SMILES | O=C1CCC2=CC=CC=C2N1 |
| Synonym | 3,4-dihydro-2 1h-quinolinone,3,4-dihydroquinolin-2 1h-one,hydrocarbostyril,1,2,3,4-tetrahydroquinolin-2-one,3,4-dihydrocarbostyril,2-oxo-1,2,3,4-tetrahydroquinoline,dihydro-quinolinone,3,4-dihydro-2-quinolinol,o-aminohydrocinnamic acid lactam,unii-2ckg6tx32f |
| IUPAC Name | 3,4-dihydro-1H-quinolin-2-one |
| InChI Key | TZOYXRMEFDYWDQ-UHFFFAOYSA-N |
| Molecular Formula | C9H9NO |
8-Aminoisoquinoline, 97%
CAS: 23687-27-6 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00179553 InChI Key: GUSYANXQYUJOBH-UHFFFAOYSA-N Synonym: 8-aminoisoquinoline,8-isoquinolinamine,isoquinolin-8-ylamine,8-amino-isoquinoline,8-isoquinolylamine,8-amine-isoquinoline,pubchem6251,ksc201o9p,isoquinolin-8-amine; isoquinolin-8-ylamine PubChem CID: 13927912 IUPAC Name: isoquinolin-8-amine SMILES: NC1=C2C=NC=CC2=CC=C1
| PubChem CID | 13927912 |
|---|---|
| CAS | 23687-27-6 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00179553 |
| SMILES | NC1=C2C=NC=CC2=CC=C1 |
| Synonym | 8-aminoisoquinoline,8-isoquinolinamine,isoquinolin-8-ylamine,8-amino-isoquinoline,8-isoquinolylamine,8-amine-isoquinoline,pubchem6251,ksc201o9p,isoquinolin-8-amine; isoquinolin-8-ylamine |
| IUPAC Name | isoquinolin-8-amine |
| InChI Key | GUSYANXQYUJOBH-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
Dihydroergotamine methanesulfonate
CAS: 6190-39-2 Molecular Formula: C34H41N5O8S Molecular Weight (g/mol): 679.79 MDL Number: MFCD00058615 InChI Key: ADYPXRFPBQGGAH-UMYZUSPBSA-N Synonym: dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate PubChem CID: 6420006 IUPAC Name: (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid SMILES: CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O
| PubChem CID | 6420006 |
|---|---|
| CAS | 6190-39-2 |
| Molecular Weight (g/mol) | 679.79 |
| MDL Number | MFCD00058615 |
| SMILES | CS(O)(=O)=O.CN1C[C@@H](C[C@H]2[C@H]1CC1=CNC3=CC=CC2=C13)C(=O)N[C@]1(C)O[C@@]2(O)[C@@H]3CCCN3C(=O)[C@H](CC3=CC=CC=C3)N2C1=O |
| Synonym | dihydroergotamine mesylate,dihydroergotamine methanesulfonate salt,dihydroergotoxine,prestwick_746,dihydroergotamine methanesulfonate salt, powder,dihydroergotamine mesilate, european pharmacopoeia ep reference standard,dihydroergotamine for peak identification, european pharmacopoeia ep reference standard,dihydroergotamine mesylate, united states pharmacopeia usp reference standard,4r,7r-n-1s,2s,4r,7s-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo 7.3.0.0^ 2,6 dodecan-4-yl-6-methyl-6,11-diazatetracyclo 7.6.1.0^ 2,7 .0^ 12,16 hexadeca-1 15 ,9,12 16 ,13-tetraene-4-carboxamide; methanesulfonic acid,6ar,9r-n-2r,5s,10as,10bs-5-benzyl-10b-hydroxy-2-methyl-3,6-dioxooctahydro-8h-oxazolo 3,2-a pyrrolo 2,1-c pyrazin-2-yl-7-methyl-4,6,6a,7,8,9,10,10a-octahydroindolo 4,3-fg quinoline-9-carboxamide methanesulfonate |
| IUPAC Name | (2R,4R,7R)-N-[(1S,2S,4R,7S)-7-benzyl-2-hydroxy-4-methyl-5,8-dioxo-3-oxa-6,9-diazatricyclo[7.3.0.0²,⁶]dodecan-4-yl]-6-methyl-6,11-diazatetracyclo[7.6.1.0²,⁷.0¹²,¹⁶]hexadeca-1(16),9,12,14-tetraene-4-carboxamide; methanesulfonic acid |
| InChI Key | ADYPXRFPBQGGAH-UMYZUSPBSA-N |
| Molecular Formula | C34H41N5O8S |