CAS 16662-47-8|CAS 36622-40-9|(-)-Methoxyverapamil hydrochloride|(2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride|5-{[2-(3,...

General Information

Structure

Molecular Formula

C₂₈H₄₁ClN₂O₅

Molecular Mass

521.08854

Exact Mass

520.2704001

Charge

InChI

InChI=1S/C28H40N2O5.ClH/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5;/h10-11,16-18,20H,9,12-15H2,1-8H3;1H/t28-;/m1./s1

InChIKey

OKCRIUNHEQSXFD-LNLSOMNWSA-N

Canonic Smiles

COc1ccc(cc1OC)CCN(CCCC(c1cc(OC)c(c(c1)OC)OC)(C(C)C)C#N)C.Cl

Isomeric Smiles

CC(C)C(CCCN(C)CCc1ccc(c(c1)OC)OC)(C#N)c1cc(c(c(c1)OC)OC)OC.Cl

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.4670047

LogD (pH = 7.4)

2.6300333

Log P

4.8855147

Molar Refractivity

139.1111

Polarizability

54.058174

Polar Surface Area

73.18

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

(-)-Methoxyverapamil hydrochloride戈洛帕米(±)-α-[3-[(2-(3,4-二甲氧基苯基)乙基)甲氨基]丙基]-3,4,5-三甲氧基-α-(1-甲基乙基)苯乙腈盐酸盐(±)-Methoxyverapamil hydrochloride(±)-甲氧基维拉帕米盐酸盐D 600

IUPAC name

(2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride 5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride

IUPAC Traditional name

(2R)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropyl-2-(3,4,5-trimethoxyphenyl)pentanenitrile hydrochloride galloβ hydrochloride

Names and Identifiers

Registration numbers

MDL Number

MFCD00058000MFCD00069306

CAS Number

16662-47-836622-40-9

PubChem SID

2427785216222572024896623

PubChem CID

71308442