5,5'-((2-(3,4-DIMETHOXYPHENYL)ETHYL)IMINO)BIS(2-(3,4-DIMETHOXYPHENYL)-2-(1-METHYLETHYL)PENTANENITRILE)HYDROCHLORIDE

Details

Stereochemistry	MIXED
Molecular Formula	C42H57N3O6.ClH
Molecular Weight	736.379
Optical Activity	UNSPECIFIED
Defined Stereocenters	0 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 5,5'-((2-(3,4-DIMETHOXYPHENYL)ETHYL)IMINO)BIS(2-(3,4-DIMETHOXYPHENYL)-2-(1-METHYLETHYL)PENTANENITRILE)HYDROCHLORIDE

Structure Search

SMILES

Cl.COC1=C(OC)C=C(CCN(CCCC(C#N)(C(C)C)C2=CC(OC)=C(OC)C=C2)CCCC(C#N)(C(C)C)C3=CC(OC)=C(OC)C=C3)C=C1

InChI

InChIKey=VLHQZSDNWXQHKZ-UHFFFAOYSA-N

InChI=1S/C42H57N3O6.ClH/c1-30(2)41(28-43,33-14-17-36(47-6)39(26-33)50-9)20-11-22-45(24-19-32-13-16-35(46-5)38(25-32)49-8)23-12-21-42(29-44,31(3)4)34-15-18-37(48-7)40(27-34)51-10;/h13-18,25-27,30-31H,11-12,19-24H2,1-10H3;1H

HIDE SMILES / InChI

Molecular Formula	C42H57N3O6
Molecular Weight	699.9185
Charge	0
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:40:28 GMT 2025` Edited by `admin` on `Mon Mar 31 23:40:28 GMT 2025`
Record UNII	SS8YQM964L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

VENLAFAXINE RELATED COMPOUND D

Preferred Name

English

5,5'-((2-(3,4-DIMETHOXYPHENYL)ETHYL)IMINO)BIS(2-(3,4-DIMETHOXYPHENYL)-2-(1-METHYLETHYL)PENTANENITRILE)HYDROCHLORIDE

Common Name

English

BENZENEACETONITRILE, .ALPHA.,.ALPHA.'-(((2-(3,4-DIMETHOXYPHENYL)ETHYL)IMINO)DI-3,1-PROPANEDIYL)BIS(3,4-DIMETHOXY-.ALPHA.-(1-METHYLETHYL)-, MONOHYDROCHLORIDE

Systematic Name

English

VENLAFAXINE RELATED COMPOUND D [USP IMPURITY]

Common Name

English

Code System Code Type Description

CAS

190850-50-1

Created by admin on Mon Mar 31 23:40:28 GMT 2025 , Edited by admin on Mon Mar 31 23:40:28 GMT 2025

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PUBCHEM

72941749

Created by admin on Mon Mar 31 23:40:28 GMT 2025 , Edited by admin on Mon Mar 31 23:40:28 GMT 2025

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FDA UNII

SS8YQM964L

Created by admin on Mon Mar 31 23:40:28 GMT 2025 , Edited by admin on Mon Mar 31 23:40:28 GMT 2025

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