CAS 61-25-6|CAS 58-74-2|papaverine hydrochloride|1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride|1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride|6,7-Dimethoxy...

General Information

Structure

Molecular Formula

C₂₀H₂₂ClNO₄

Molecular Mass

375.84598

Exact Mass

375.12373587

Charge

InChI

InChI=1S/C20H21NO4.ClH/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16;/h5-8,10-12H,9H2,1-4H3;1H

InChIKey

UOTMYNBWXDUBNX-UHFFFAOYSA-N

Canonic Smiles

COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC.Cl

Isomeric Smiles

c12c(nccc2cc(c(c1)OC)OC)Cc1cc(c(cc1)OC)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4896507

LogD (pH = 7.4)

3.062748

Log P

3.080075

Molar Refractivity

95.5175

Polarizability

38.36705

Polar Surface Area

49.81

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

papaverine hydrochloride

Synonyms

1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride6,7-Dimethoxy-1-veratrylisoquinoline hydrochloridePapaverine hydrochloridePAPAVERINE HYDROCHLORIDE6,7-Dimethoxy-1-veratrylisoquinolineDynovasVasospanArtegodanCepaverin1-(3,4-Dimethoxybenzyl)-6,7-dimethoxyisoquinoline hydrochloride1-(3,4-二甲氧基苄基)-6,7-二甲氧基异喹啉盐酸盐1-[(3,4-Dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline HydrochlorideCerebidOptenylCerespanVasal

IUPAC name

1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline hydrochloride

Names and Identifiers

Registration numbers

PubChem CID

CAS Number

Merck Index

EC Number