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Organoheterocyclic compounds

Organic compounds that consist of ring structures, or cyclic compounds that have atoms of at least two different elements as members of its ring(s).
Imidazopyrimidines (12)
Indoles and derivatives (8)
Piperazines (8)
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Biotin and derivatives (2)
Heteroaromatic compounds (2)
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Keyword Search:
1 – 15 of 40 results
1

Metronidazole MP Biomedicals

CAS: 443-48-1 Molecular Formula: C6H9N3O3 Molecular Weight (g/mol): 171.156 InChI Key: VAOCPAMSLUNLGC-UHFFFAOYSA-N Synonym: metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol PubChem CID: 4173 ChEBI: CHEBI:6909 IUPAC Name: 2-(2-methyl-5-nitroimidazol-1-yl)ethanol SMILES: CC1=NC=C(N1CCO)[N+](=O)[O-]

PubChem CID 4173
CAS 443-48-1
Molecular Weight (g/mol) 171.156
ChEBI CHEBI:6909
SMILES CC1=NC=C(N1CCO)[N+](=O)[O-]
Synonym metronidazole,metronidazol,flagyl,2-methyl-5-nitroimidazole-1-ethanol,anagiardil,trichazol,gineflavir,meronidal,metronidaz,novonidazol
IUPAC Name 2-(2-methyl-5-nitroimidazol-1-yl)ethanol
InChI Key VAOCPAMSLUNLGC-UHFFFAOYSA-N
Molecular Formula C6H9N3O3
2

Caffeine Anhydrous MP Biomedicals

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
3

Thiamine, Hydrochloride, MP Biomedicals

CAS: 67-03-8 Molecular Formula: C12H18Cl2N4OS Molecular Weight (g/mol): 337.263 InChI Key: DPJRMOMPQZCRJU-UHFFFAOYSA-M Synonym: thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride PubChem CID: 6202 ChEBI: CHEBI:49105 IUPAC Name: 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride SMILES: CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]

PubChem CID 6202
CAS 67-03-8
Molecular Weight (g/mol) 337.263
ChEBI CHEBI:49105
SMILES CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO.Cl.[Cl-]
Synonym thiamine hydrochloride,vitamin b1 hydrochloride,thiamine hcl,aneurine hydrochloride,berin,thiamine chloride hydrochloride,trophite,thiamin chloride,thiamine dichloride,thiaminium chloride
IUPAC Name 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride;hydrochloride
InChI Key DPJRMOMPQZCRJU-UHFFFAOYSA-M
Molecular Formula C12H18Cl2N4OS
4

Adenine Sulfate, MP Biomedicals

CAS: 321-30-2 Molecular Formula: C10H12N10O4S Molecular Weight (g/mol): 368.33 MDL Number: MFCD00213655 InChI Key: LQXHSCOPYJCOMD-UHFFFAOYSA-N Synonym: adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m PubChem CID: 9449 IUPAC Name: bis(7H-purin-6-amine); sulfuric acid SMILES: OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 9449
CAS 321-30-2
Molecular Weight (g/mol) 368.33
MDL Number MFCD00213655
SMILES OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym adenine sulfate,adenine hemisulfate,7h-purin-6-amine sulfate 2:1,adeninsulfat,adeninium sulfate,adenine sulfate 2:1,adeninsulfat german,1h-purin-6-amine, sulfate 2:1,diadenine sulphate,unii-741gjf3k9m
IUPAC Name bis(7H-purin-6-amine); sulfuric acid
InChI Key LQXHSCOPYJCOMD-UHFFFAOYSA-N
Molecular Formula C10H12N10O4S
5

Thiamine Hydrochloride, Powder, MP Biomedicals

CAS: 67-03-8 Molecular Formula: C12H17ClN4OS·HCl Molecular Weight (g/mol): 337.263 MDL Number: MFCD00012780 InChI Key: UIERGBJEBXXIGO-UHFFFAOYSA-N Synonym: Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl PubChem CID: 10762 SMILES: [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N

PubChem CID 10762
CAS 67-03-8
Molecular Weight (g/mol) 337.263
MDL Number MFCD00012780
SMILES [O-][N+]([O-])=O.CC1=C(CCO)[S+]=CN1CC1=CN=C(C)N=C1N
Synonym Aneurine hydrochloride,Vitamin B1 hydrochloride,Vitamin B1 HCl
InChI Key UIERGBJEBXXIGO-UHFFFAOYSA-N
Molecular Formula C12H17ClN4OS·HCl
6

Naloxone Hydrocloride, MP Biomedicals™

CAS: 357-08-4 Molecular Formula: C19H22ClNO4 Molecular Weight (g/mol): 363.84 InChI Key: RGPDIGOSVORSAK-STHHAXOLSA-N Synonym: Narcan,EN-1530,(5α)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one hydrochloride,17-allyl-4,5α- epoxy-3,14-dihydroxymorphinan-6-one hydrochloride

CAS 357-08-4
Molecular Weight (g/mol) 363.84
Synonym Narcan,EN-1530,(5α)-4,5-Epoxy-3,14-dihydroxy-17-(2-propenyl)morphinan-6-one hydrochloride,17-allyl-4,5α- epoxy-3,14-dihydroxymorphinan-6-one hydrochloride
InChI Key RGPDIGOSVORSAK-STHHAXOLSA-N
Molecular Formula C19H22ClNO4
7

5-Hydroxytryptamine, MP Biomedicals™

CAS: 153-98-0 Molecular Formula: C10H13ClN2O Molecular Weight (g/mol): 212.677 InChI Key: MDIGAZPGKJFIAH-UHFFFAOYSA-N Synonym: serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride PubChem CID: 160436 IUPAC Name: 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride SMILES: C1=CC2=C(C=C1O)C(=CN2)CCN.Cl

PubChem CID 160436
CAS 153-98-0
Molecular Weight (g/mol) 212.677
SMILES C1=CC2=C(C=C1O)C(=CN2)CCN.Cl
Synonym serotonin hydrochloride,5-hydroxytryptamine hydrochloride,3-2-aminoethyl-1h-indol-5-ol hydrochloride,serotonin hcl,5-hydroxytryptamine hcl,unii-gkn429m9vs,ccris 4420,1h-indol-5-ol, 3-2-aminoethyl-, monohydrochloride,gkn429m9vs,3-2-aminoethyl indol-5-ol, chloride
IUPAC Name 3-(2-aminoethyl)-1H-indol-5-ol;hydrochloride
InChI Key MDIGAZPGKJFIAH-UHFFFAOYSA-N
Molecular Formula C10H13ClN2O
8

Uracil, 99.75%, MP Biomedicals™

CAS: 66-22-8 Molecular Formula: C4H4N2O2 Molecular Weight (g/mol): 112.09 MDL Number: MFCD00006016 InChI Key: ISAKRJDGNUQOIC-UHFFFAOYSA-N Synonym: uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x PubChem CID: 1174 ChEBI: CHEBI:17568 IUPAC Name: 1,2,3,4-tetrahydropyrimidine-2,4-dione SMILES: O=C1NC=CC(=O)N1

PubChem CID 1174
CAS 66-22-8
Molecular Weight (g/mol) 112.09
ChEBI CHEBI:17568
MDL Number MFCD00006016
SMILES O=C1NC=CC(=O)N1
Synonym uracil,2,4-dihydroxypyrimidine,2,4 1h,3h-pyrimidinedione,2,4-pyrimidinediol,2,4-dioxopyrimidine,pyrimidine-2,4 1h,3h-dione,pirod,2,4-pyrimidinedione,pyrod,hybar x
IUPAC Name 1,2,3,4-tetrahydropyrimidine-2,4-dione
InChI Key ISAKRJDGNUQOIC-UHFFFAOYSA-N
Molecular Formula C4H4N2O2
9

Hemin, 95%, MP Biomedicals™

CAS: 16009-13-5 Molecular Formula: C34H32ClFeN4O4 Molecular Weight (g/mol): 651.95 MDL Number: MFCD00010726 InChI Key: BTIJJDXEELBZFS-HXFTUNQESA-K Synonym: chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin PubChem CID: 131675604 IUPAC Name: 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid SMILES: CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C

PubChem CID 131675604
CAS 16009-13-5
Molecular Weight (g/mol) 651.95
MDL Number MFCD00010726
SMILES CC1=C(CCC(O)=O)\C2=C\C3=C(CCC(O)=O)C(C)=C4\C=C5/N=C(/C=C6\N([Fe](Cl)N34)\C(=C/C1=N2)C(C=C)=C6C)C(C=C)=C5C
Synonym chlorohemin,hemin chloride,protoferriheme,ferriheme,ferriprotoporphyrin ix chloride,ferriprotoporphyrin ix,panhematin,protohemin,protohemin ix,ferriprotoporphyrin
IUPAC Name 3-[(1Z,6Z,12Z,17Z)-5-(2-carboxyethyl)-22-chloro-15,20-diethenyl-4,10,14,19-tetramethyl-21,23,24,25-tetraaza-22-ferrahexacyclo[9.9.3.1³,⁶.1¹³,¹⁶.0⁸,²³.0¹⁸,²¹]pentacosa-1,3(25),4,6,8,10,12,14,16(24),17,19-undecaen-9-yl]propanoic acid
InChI Key BTIJJDXEELBZFS-HXFTUNQESA-K
Molecular Formula C34H32ClFeN4O4
10

1,2-Butylene Oxide, MP Biomedicals

CAS: 106-88-7 Molecular Formula: C4H8O Molecular Weight (g/mol): 72.107 InChI Key: RBACIKXCRWGCBB-UHFFFAOYSA-N Synonym: 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide PubChem CID: 7834 ChEBI: CHEBI:82326 IUPAC Name: 2-ethyloxirane SMILES: CCC1CO1

PubChem CID 7834
CAS 106-88-7
Molecular Weight (g/mol) 72.107
ChEBI CHEBI:82326
SMILES CCC1CO1
Synonym 1,2-epoxybutane,1,2-butylene oxide,oxirane, ethyl,ethyloxirane,1,2-butene oxide,ethylethylene oxide,1-butene oxide,oxirane, 2-ethyl,butane, epoxy,1-butylene oxide
IUPAC Name 2-ethyloxirane
InChI Key RBACIKXCRWGCBB-UHFFFAOYSA-N
Molecular Formula C4H8O
11

Adenine Hemisulfate Dihydrate MP Biomedicals

CAS: 6509-19-9 Molecular Formula: C10H16N10O6S Molecular Weight (g/mol): 404.36 MDL Number: MFCD00150149 InChI Key: MKPCNMXYTMQZBE-UHFFFAOYSA-N Synonym: 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2 PubChem CID: 44134512 IUPAC Name: bis(7H-purin-6-amine) sulfuric acid dihydrate SMILES: O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1

PubChem CID 44134512
CAS 6509-19-9
Molecular Weight (g/mol) 404.36
MDL Number MFCD00150149
SMILES O.O.OS(O)(=O)=O.NC1=C2NC=NC2=NC=N1.NC1=C2NC=NC2=NC=N1
Synonym 9h-purin-6-amine hemisulfate dihydrate,adenine hemisulfate dihydrate,6-aminopurine sulfate dihydrate,bis ade sulfuric acid dihydrate,sulfuric acid bis vitamin b4 dihydrate,bis adenine sulfuric acid dihydrate,sulfuric acid-7h-purin-6-amine-water 1/2/2
IUPAC Name bis(7H-purin-6-amine) sulfuric acid dihydrate
InChI Key MKPCNMXYTMQZBE-UHFFFAOYSA-N
Molecular Formula C10H16N10O6S
12

Chlorophyll, Water Soluble, MP Biomedicals

CAS: 1406-65-1 Molecular Formula: C55H72MgN4O5 Molecular Weight (g/mol): 893.509 InChI Key: ATNHDLDRLWWWCB-AENOIHSZSA-M Synonym: unii-yf5q9ejc8y,chlorophyll a,chlorophyll-a,yf5q9ejc8y,chlorophyll,magnesium, 2e,7r,11r-3,7,11,15-tetramethyl-2-hexadecenyl 3s,4s,21r-9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--kappan23,kappan24,kappan25,kappan26-, sp-4-2,unii-00wnz48or9 component,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-1-2-amino-2-oxo-ethyl carbamoyl-4-guanidino-butyl pyrro,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-5-amino-1-2-amino-2-oxo-ethyl carbamoyl pentyl pyrrolid,magnesium, 3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--n23,n24,n25,n26-, sp-4-2-3s-3alpha 2e,7s*,11s* ,4beta,21beta PubChem CID: 16667503 ChEBI: CHEBI:18230 SMILES: CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]

PubChem CID 16667503
CAS 1406-65-1
Molecular Weight (g/mol) 893.509
ChEBI CHEBI:18230
SMILES CCC1=C(C2=NC1=CC3=C(C4=C(C(C(=C4[N-]3)C5=NC(=CC6=NC(=C2)C(=C6C)C=C)C(C5CCC(=O)OCC=C(C)CCCC(C)CCCC(C)CCCC(C)C)C)C(=O)OC)[O-])C)C.[Mg+2]
Synonym unii-yf5q9ejc8y,chlorophyll a,chlorophyll-a,yf5q9ejc8y,chlorophyll,magnesium, 2e,7r,11r-3,7,11,15-tetramethyl-2-hexadecenyl 3s,4s,21r-9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--kappan23,kappan24,kappan25,kappan26-, sp-4-2,unii-00wnz48or9 component,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-1-2-amino-2-oxo-ethyl carbamoyl-4-guanidino-butyl pyrro,2s-1-4r,7s,10s,13s,16s,19r-19-amino-7-2-amino-2-oxo-ethyl-10-3-amino-3-oxo-propyl-13-benzyl-16-4-hydroxyphenyl methyl-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl-n-1s-5-amino-1-2-amino-2-oxo-ethyl carbamoyl pentyl pyrrolid,magnesium, 3,7,11,15-tetramethyl-2-hexadecenyl 9-ethenyl-14-ethyl-21-methoxycarbonyl-4,8,13,18-tetramethyl-20-oxo-3-phorbinepropanoato 2--n23,n24,n25,n26-, sp-4-2-3s-3alpha 2e,7s*,11s* ,4beta,21beta
InChI Key ATNHDLDRLWWWCB-AENOIHSZSA-M
Molecular Formula C55H72MgN4O5
13

Cefsulodin Sodium Salt MP Biomedicals

CAS: 52152-93-9 Molecular Formula: C22H21N4NaO8S2+ Molecular Weight (g/mol): 556.54 InChI Key: GTZPOHRNWUTXNB-DWBVFMGKSA-O PubChem CID: 124203950 IUPAC Name: (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium SMILES: C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]

PubChem CID 124203950
CAS 52152-93-9
Molecular Weight (g/mol) 556.54
SMILES C1C(=C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)S(=O)(=O)O)C(=O)O)C[N+]4=CC=C(C=C4)C(=O)N.[Na]
IUPAC Name (6R,7R)-3-[(4-carbamoylpyridin-1-ium-1-yl)methyl]-8-oxo-7-[[(2R)-2-phenyl-2-sulfoacetyl]amino]-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;sodium
InChI Key GTZPOHRNWUTXNB-DWBVFMGKSA-O
Molecular Formula C22H21N4NaO8S2+
14

Caffeine anhydrous, 99.7%, MP Biomedicals™

CAS: 58-08-2 Molecular Formula: C8H10N4O2 Molecular Weight (g/mol): 194.19 MDL Number: MFCD00005758 InChI Key: RYYVLZVUVIJVGH-UHFFFAOYSA-N Synonym: caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep PubChem CID: 2519 ChEBI: CHEBI:27732 IUPAC Name: 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione SMILES: CN1C=NC2=C1C(=O)N(C)C(=O)N2C

PubChem CID 2519
CAS 58-08-2
Molecular Weight (g/mol) 194.19
ChEBI CHEBI:27732
MDL Number MFCD00005758
SMILES CN1C=NC2=C1C(=O)N(C)C(=O)N2C
Synonym caffeine,1,3,7-trimethylxanthine,guaranine,thein,cafeina,methyltheobromine,koffein,mateina,theine,alert-pep
IUPAC Name 1,3,7-trimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
InChI Key RYYVLZVUVIJVGH-UHFFFAOYSA-N
Molecular Formula C8H10N4O2
15

Ethoxyquin, ≥90%, MP Biomedicals™

CAS: 91-53-2 Molecular Formula: C14H19NO Molecular Weight (g/mol): 217.312 MDL Number: MFCD00023883 InChI Key: DECIPOUIJURFOJ-UHFFFAOYSA-N Synonym: ethoxyquin,6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline,ethoxyquine,santoquin,santoquine,niflex,antioxidant ec,santoflex a,santoflex aw,stop-scald PubChem CID: 3293 ChEBI: CHEBI:77323 IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

PubChem CID 3293
CAS 91-53-2
Molecular Weight (g/mol) 217.312
ChEBI CHEBI:77323
MDL Number MFCD00023883
SMILES CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C
Synonym ethoxyquin,6-ethoxy-2,2,4-trimethyl-1,2-dihydroquinoline,ethoxyquine,santoquin,santoquine,niflex,antioxidant ec,santoflex a,santoflex aw,stop-scald
IUPAC Name 6-ethoxy-2,2,4-trimethyl-1H-quinoline
InChI Key DECIPOUIJURFOJ-UHFFFAOYSA-N
Molecular Formula C14H19NO