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Isoquinolines and derivatives

Aromatic heterocyclic organic compounds that consist of a benzene ring fused to a pyridine ring; they are structural isomers of quinoline. Includes compounds that are derived from isoquinolines.
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1 – 15 de 31 résultats
1

Gliquidone, British Pharmacopoeia (BP) Reference Standard, MilliporeSigma™ Supelco™

This product is provided as delivered and specified by the issuing Pharmacopoeia. All information provided in support of this product, including SDS and any product information leaflets, has been developed and issued under the Authority of the issuing Pharmacopoeia.

2

Isocarbostyril, 98%

CAS: 491-30-5 Formule moléculaire: C9H7NO Poids moléculaire (g/mol): 145.16 Clé InChI: VDBNYAPERZTOOF-UHFFFAOYSA-N Synonyme: 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol CID PubChem: 10284 ChEBI: CHEBI:18350 Nom IUPAC: 2H-isoquinolin-1-one SMILES: C1=CC=C2C(=C1)C=CNC2=O

Poids moléculaire (g/mol) 145.16
Synonyme 1-hydroxyisoquinoline,isoquinolin-1 2h-one,isocarbostyril,1-isoquinolinol,1 2h-isoquinolinone,isoquinolin-1-ol,isoquinolin-1-one,1 2h-isoquinolone,1-hydroxyisoquinolin,isoquinolinol
CAS 491-30-5
CID PubChem 10284
ChEBI CHEBI:18350
Nom IUPAC 2H-isoquinolin-1-one
Clé InChI VDBNYAPERZTOOF-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=CNC2=O
Formule moléculaire C9H7NO
3

1,8-Naphthalimide, 98%

CAS: 81-83-4 Formule moléculaire: C12H7NO2 Poids moléculaire (g/mol): 197.193 Numéro MDL: MFCD00006920 Clé InChI: XJHABGPPCLHLLV-UHFFFAOYSA-N Synonyme: 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn CID PubChem: 66491 Nom IUPAC: benzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2

Poids moléculaire (g/mol) 197.193
Synonyme 1,8-naphthalimide,naphthalimide,1h-benz de isoquinoline-1,3 2h-dione,1h-benzo de isoquinoline-1,3 2h-dione,1,8-naphthalenedicarboximide,benzo de isoquinoline-1,3-dione,unii-gi0tv19gbn,naphthalene-1,8-dicarboximide,gi0tv19gbn
Numéro MDL MFCD00006920
CAS 81-83-4
CID PubChem 66491
Nom IUPAC benzo[de]isoquinoline-1,3-dione
Clé InChI XJHABGPPCLHLLV-UHFFFAOYSA-N
SMILES C1=CC2=C3C(=C1)C(=O)NC(=O)C3=CC=C2
Formule moléculaire C12H7NO2
4

Papaverine hydrochloride, 99%

CAS: 61-25-6 Formule moléculaire: C20H21NO4·ClH Poids moléculaire (g/mol): 375.85 Numéro MDL: MFCD00012745 Clé InChI: UOTMYNBWXDUBNX-UHFFFAOYSA-N Synonyme: papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan CID PubChem: 6084 Nom IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride SMILES: COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl

Poids moléculaire (g/mol) 375.85
Synonyme papaverine hydrochloride,cardiospan,cardoverina,dispamil,drapavel,forpavin,papalease,papaversan,pavatest,paverolan
Numéro MDL MFCD00012745
CAS 61-25-6
CID PubChem 6084
Nom IUPAC 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline;hydrochloride
Clé InChI UOTMYNBWXDUBNX-UHFFFAOYSA-N
SMILES COC1=C(C=C(C=C1)CC2=NC=CC3=CC(=C(C=C32)OC)OC)OC.Cl
Formule moléculaire C20H21NO4·ClH
5

Naloxone hydrochloride, 98%

CAS: 357-08-4 Formule moléculaire: C19H22ClNO4 Poids moléculaire (g/mol): 363.838 Numéro MDL: MFCD00069322 Clé InChI: RGPDIGOSVORSAK-STHHAXOLSA-N Synonyme: naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride CID PubChem: 5464092 Nom IUPAC: (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl

Poids moléculaire (g/mol) 363.838
Synonyme naloxone hydrochloride,naloxone hcl,narcan,evzio,unii-f850569pqr,nalonee,17-allyl-4,5alpha-epoxy-3,14-dihydroxymorphinan-6-one hydrochloride,narcan tn,naloxonehydrochloride
Numéro MDL MFCD00069322
CAS 357-08-4
CID PubChem 5464092
Nom IUPAC (4R,4aS,7aR,12bS)-4a,9-dihydroxy-3-prop-2-enyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
Clé InChI RGPDIGOSVORSAK-STHHAXOLSA-N
SMILES C=CCN1CCC23C4C(=O)CCC2(C1CC5=C3C(=C(C=C5)O)O4)O.Cl
Formule moléculaire C19H22ClNO4
6

Thermo Scientific Chemicals Atracurium besylate, 96%

CAS: 64228-81-5 Formule moléculaire: C53H72N2O12·2C6H5O3S Poids moléculaire (g/mol): 1243.49 Clé InChI: XXZSQOVSEBAPGS-UHFFFAOYSA-L Synonyme: atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a CID PubChem: 47320 ChEBI: CHEBI:2915 Nom IUPAC: benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate SMILES: C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]

Poids moléculaire (g/mol) 1243.49
Synonyme atracurium besylate,atracurium besilate,tracrium,atracurii besilas,besilate d'atracurium,besilato de atracurio,tracrium preservative free,atracurii besilas inn-latin,bw 33a
CAS 64228-81-5
CID PubChem 47320
ChEBI CHEBI:2915
Nom IUPAC benzenesulfonate;5-[3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoyloxy]pentyl 3-[1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-yl]propanoate
Clé InChI XXZSQOVSEBAPGS-UHFFFAOYSA-L
SMILES C[N+]1(CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)OC)OC)OC)OC)CCC(=O)OCCCCCOC(=O)CC[N+]4(CCC5=CC(=C(C=C5C4CC6=CC(=C(C=C6)OC)OC)OC)OC)C.C1=CC=C(C=C1)S(=O)(=O)[O-].C1=CC=C(C=C1)S(=O)(=O)[O-]
Formule moléculaire C53H72N2O12·2C6H5O3S
7

7-Bromo-1-hydroxyisoquinoline, 97%

CAS: 223671-15-6 Formule moléculaire: C9H6BrNO Poids moléculaire (g/mol): 224.057 Numéro MDL: MFCD02093963 Clé InChI: DSOKREQUHLPVFR-UHFFFAOYSA-N CID PubChem: 11276133 Nom IUPAC: 7-bromo-2H-isoquinolin-1-one SMILES: C1=CC(=CC2=C1C=CNC2=O)Br

Poids moléculaire (g/mol) 224.057
Numéro MDL MFCD02093963
CAS 223671-15-6
CID PubChem 11276133
Nom IUPAC 7-bromo-2H-isoquinolin-1-one
Clé InChI DSOKREQUHLPVFR-UHFFFAOYSA-N
SMILES C1=CC(=CC2=C1C=CNC2=O)Br
Formule moléculaire C9H6BrNO
8

3-Hydroxyisoquinoline, 99%

CAS: 7651-81-2 Formule moléculaire: C9H7NO Poids moléculaire (g/mol): 145.161 Numéro MDL: MFCD00075524 Clé InChI: GYPOFOQUZZUVQL-UHFFFAOYSA-N Synonyme: 3-hydroxyisoquinoline,isoquinolin-3-ol,isoquinolin-3 2h-one,3-isoquinolinol,2,3-dihydroisoquinolin-3-one,3 2h-isoquinolinone,2h-3-isoquinolone,zlchem 163,3-hydroxy-isoquinoline,3-isoquinolinol 9ci CID PubChem: 2736554 Nom IUPAC: 2H-isoquinolin-3-one SMILES: C1=CC2=CC(=O)NC=C2C=C1

Poids moléculaire (g/mol) 145.161
Synonyme 3-hydroxyisoquinoline,isoquinolin-3-ol,isoquinolin-3 2h-one,3-isoquinolinol,2,3-dihydroisoquinolin-3-one,3 2h-isoquinolinone,2h-3-isoquinolone,zlchem 163,3-hydroxy-isoquinoline,3-isoquinolinol 9ci
Numéro MDL MFCD00075524
CAS 7651-81-2
CID PubChem 2736554
Nom IUPAC 2H-isoquinolin-3-one
Clé InChI GYPOFOQUZZUVQL-UHFFFAOYSA-N
SMILES C1=CC2=CC(=O)NC=C2C=C1
Formule moléculaire C9H7NO
9

3,4,9,10-Perylenetetracarboxylic diimide

CAS: 81-33-4 Formule moléculaire: C24H10N2O4 Poids moléculaire (g/mol): 390.354 Numéro MDL: MFCD00024144 Clé InChI: KJOLVZJFMDVPGB-UHFFFAOYSA-N Synonyme: perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone CID PubChem: 66475 ChEBI: CHEBI:52753 SMILES: C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O

Poids moléculaire (g/mol) 390.354
Synonyme perylimid,3,4,9,10-perylenetetracarboxylic diimide,perylenediimide,3,4,9,10-perylenetetracarboxylic acid diimide,perylene-3,4:9,10-tetracarboxydiimide,unii-63nli8842l,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetrone,anthra 2,1,9-def:6,5,10-d'e'f' diisoquinoline-1,3,8,10 2h,9h-tetraone,isoquino 4',5',6':6,5,10 anthra 2,1,9-def isoquinoline-1,3,8,10 2h,9h-tetrone
Numéro MDL MFCD00024144
CAS 81-33-4
CID PubChem 66475
ChEBI CHEBI:52753
Clé InChI KJOLVZJFMDVPGB-UHFFFAOYSA-N
SMILES C1=CC2=C3C(=CC=C4C3=C1C5=C6C4=CC=C7C6=C(C=C5)C(=O)NC7=O)C(=O)NC2=O
Formule moléculaire C24H10N2O4
10

3,4-Dihydro-2H-isoquinolin-1-one, 98%

CAS: 1196-38-9 Formule moléculaire: C9H9NO Poids moléculaire (g/mol): 147.18 Clé InChI: YWPMKTWUFVOFPL-UHFFFAOYSA-N Synonyme: 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline CID PubChem: 150896 Nom IUPAC: 3,4-dihydro-2H-isoquinolin-1-one SMILES: C1CNC(=O)C2=CC=CC=C21

Poids moléculaire (g/mol) 147.18
Synonyme 3,4-dihydroisoquinolin-1 2h-one,1,2,3,4-tetrahydroisoquinolin-1-one,1 2h-isoquinolinone, 3,4-dihydro,3,4-dihydroisocarbostyril,1-oxo-1,2,3,4-tetrahydroisoquinoline,3,4-dihydro-1 2h-isoquinolinone,3,4-dihydro-1h-isoquinolin-1-one,dihydroisoquinolone,3nuu,1-keto-1,2,3,4-tetrahydroisoquinoline
CAS 1196-38-9
CID PubChem 150896
Nom IUPAC 3,4-dihydro-2H-isoquinolin-1-one
Clé InChI YWPMKTWUFVOFPL-UHFFFAOYSA-N
SMILES C1CNC(=O)C2=CC=CC=C21
Formule moléculaire C9H9NO
11

Naltrexone hydrochloride, Thermo Scientific Chemicals

CAS: 16676-29-2 Formule moléculaire: C20H24ClNO4 Poids moléculaire (g/mol): 377.865 Numéro MDL: MFCD00069324 Clé InChI: RHBRMCOKKKZVRY-ITLPAZOVSA-N Synonyme: naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin CID PubChem: 5485201 Nom IUPAC: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride SMILES: C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl

Poids moléculaire (g/mol) 377.865
Synonyme naltrexone hydrochloride,naltrexone hcl,trexan,depade,antaxone,revia,nalorex,unii-z6375yw9sf,nemexin
Numéro MDL MFCD00069324
CAS 16676-29-2
CID PubChem 5485201
Nom IUPAC (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,9-dihydroxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline-7-one;hydrochloride
Clé InChI RHBRMCOKKKZVRY-ITLPAZOVSA-N
SMILES C1CC1CN2CCC34C5C(=O)CCC3(C2CC6=C4C(=C(C=C6)O)O5)O.Cl
Formule moléculaire C20H24ClNO4
12

4-Amino-1,8-naphthalimide, 95%

CAS: 1742-95-6 Formule moléculaire: C12H8N2O2 Poids moléculaire (g/mol): 212.21 Numéro MDL: MFCD00006921 Clé InChI: SSMIFVHARFVINF-UHFFFAOYSA-N Synonyme: 4-amino-1,8-naphthalimide,4-aminonaphthalimide,6-amino-benzo de isoquinoline-1,3-dione,6-amino-1h-benzo de isoquinoline-1,3 2h-dione,4-aminonaphthalene-1,8-dicarboximide,naphthalimide, 4-amino,dfp 1,1h-benz de isoquinoline-1,3 2h-dione, 6-amino,6-aminobenzo de isoquinoline-1,3-dione,parp inhibitor v, 4-ani CID PubChem: 1720 ChEBI: CHEBI:40071 SMILES: NC1=C2C=CC=C3C(=O)NC(=O)C(C=C1)=C23

Poids moléculaire (g/mol) 212.21
Synonyme 4-amino-1,8-naphthalimide,4-aminonaphthalimide,6-amino-benzo de isoquinoline-1,3-dione,6-amino-1h-benzo de isoquinoline-1,3 2h-dione,4-aminonaphthalene-1,8-dicarboximide,naphthalimide, 4-amino,dfp 1,1h-benz de isoquinoline-1,3 2h-dione, 6-amino,6-aminobenzo de isoquinoline-1,3-dione,parp inhibitor v, 4-ani
Numéro MDL MFCD00006921
CAS 1742-95-6
CID PubChem 1720
ChEBI CHEBI:40071
Clé InChI SSMIFVHARFVINF-UHFFFAOYSA-N
SMILES NC1=C2C=CC=C3C(=O)NC(=O)C(C=C1)=C23
Formule moléculaire C12H8N2O2
13

1-(2-Amino-1-naphthyl)isoquinoline 98.0+%, TCI America™

CAS: 664302-70-9 Formule moléculaire: C19H14N2 Poids moléculaire (g/mol): 270.335 Clé InChI: OYLNFFGFQUEPML-UHFFFAOYSA-N Synonyme: 1-(Isoquinolinyl)-2-naphthylamine CID PubChem: 24938303 Nom IUPAC: 1-isoquinolin-1-ylnaphthalen-2-amine SMILES: C1=CC=C2C(=C1)C=CC(=C2C3=NC=CC4=CC=CC=C43)N

Poids moléculaire (g/mol) 270.335
Synonyme 1-(Isoquinolinyl)-2-naphthylamine
CAS 664302-70-9
CID PubChem 24938303
Nom IUPAC 1-isoquinolin-1-ylnaphthalen-2-amine
Clé InChI OYLNFFGFQUEPML-UHFFFAOYSA-N
SMILES C1=CC=C2C(=C1)C=CC(=C2C3=NC=CC4=CC=CC=C43)N
Formule moléculaire C19H14N2
14

Palonosetron Hydrochloride 98.0+%, TCI America™

CAS: 135729-62-3 Formule moléculaire: C19H25ClN2O Poids moléculaire (g/mol): 332.87 Numéro MDL: MFCD00939524 Clé InChI: OLDRWYVIKMSFFB-KPVRICSOSA-N CID PubChem: 6918303 ChEBI: CHEBI:85157 Nom IUPAC: hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride SMILES: [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2

Poids moléculaire (g/mol) 332.87
Numéro MDL MFCD00939524
CAS 135729-62-3
CID PubChem 6918303
ChEBI CHEBI:85157
Nom IUPAC hydrogen (5R)-3-[(3S)-1-azabicyclo[2.2.2]octan-3-yl]-3-azatricyclo[7.3.1.0⁵,¹³]trideca-1(13),9,11-trien-2-one chloride
Clé InChI OLDRWYVIKMSFFB-KPVRICSOSA-N
SMILES [H+].[Cl-].O=C1N(C[C@@H]2CCCC3=CC=CC1=C23)[C@@H]1CN2CCC1CC2
Formule moléculaire C19H25ClN2O
15

N-Hydroxy-1,8-naphthalimide 97.0+%, TCI America™

CAS: 7797-81-1 Formule moléculaire: C12H7NO3 Poids moléculaire (g/mol): 213.192 Numéro MDL: MFCD00065062 Clé InChI: KTWCUGUUDHJVIH-UHFFFAOYSA-N Synonyme: n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2 CID PubChem: 82263 Nom IUPAC: 2-hydroxybenzo[de]isoquinoline-1,3-dione SMILES: C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O

Poids moléculaire (g/mol) 213.192
Synonyme n-hydroxynaphthalimide,n-hydroxy-1,8-naphthalimide,naphthalimide, n-hydroxy,naphthalhydroxamic acid,2-hydroxy-1h-benzo de isoquinoline-1,3 2h-dione,n-hydroxy-1,8-naphthalenedicarboximide,2-hydroxy-1h-benz de isoquinoline-1,3 2h-dione,2-hydroxybenzo de isoquinoline-1,3-dione,1h-benz de isoquinoline-1,3 2h-dione, 2-hydroxy,unii-dzg9avw5v2
Numéro MDL MFCD00065062
CAS 7797-81-1
CID PubChem 82263
Nom IUPAC 2-hydroxybenzo[de]isoquinoline-1,3-dione
Clé InChI KTWCUGUUDHJVIH-UHFFFAOYSA-N
SMILES C1=CC2=C3C(=C1)C(=O)N(C(=O)C3=CC=C2)O
Formule moléculaire C12H7NO3