RS 93007

HCID 129101
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Basic information

CAS
105740-30-5
Standard SMILES
COc1ccc(C(C#N)(CCCC2Cc3cc(OC)c(OC)cc3CN2C)C(C)C)cc1OC.Cl
InChIKey
VUZBKYKCWFNKMU-UHFFFAOYSA-N
Molecular formula
C28H39ClN2O4
Average molar mass
503.1 g/mol
Monoisotopic mass
502.25983541

Overview

structure given in first source

Names & identifiers

Preferred name
RS 93007
IUPAC
5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;hydrochloride

Names & synonyms

105740-30-5RS 93007RS-930073-Isoquinolinepentanenitrile, alpha-(3,4-dimethoxyphenyl)-1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-alpha-(1-methylethyl)-, monohydrochlorideRefChem:180083SCHEMBL10775672DTXSID90909710VUZBKYKCWFNKMU-UHFFFAOYSA-N5-(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile;hydrochloride3-[4-(3,4-dimethoxyphenyl)-4-isopropyl-4-cyanobutyl]-6,7-dimethoxy-N-methyl-1,2,3,4-tetrahydroisoquinoline.HCl5-(6,7-Dimethoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)-2-(3,4-dimethoxyphenyl)-2-(propan-2-yl)pentanenitrile--hydrogen chloride (1/1)

Database identifiers

CAS
105740-30-5
PubChem CID
129101
DTXSID
DTXSID90909710

Properties

Computed structural propertiesFilling in

Topological polar surface area
64 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
10
Heavy atoms
35

Related reactions

1 records
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Compound notes

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