VENLAFAXINE BESYLATE MONOHYDRATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C17H27NO2.C6H6O3S.H2O
Molecular Weight	453.592
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of VENLAFAXINE BESYLATE MONOHYDRATE

Structure Search

SMILES

O.OS(=O)(=O)C1=CC=CC=C1.COC2=CC=C(C=C2)C(CN(C)C)C3(O)CCCCC3

InChI

InChIKey=XHPQSXIKZWZGIP-UHFFFAOYSA-N

InChI=1S/C17H27NO2.C6H6O3S.H2O/c1-18(2)13-16(17(19)11-5-4-6-12-17)14-7-9-15(20-3)10-8-14;7-10(8,9)6-4-2-1-3-5-6;/h7-10,16,19H,4-6,11-13H2,1-3H3;1-5H,(H,7,8,9);1H2

HIDE SMILES / InChI

Molecular Formula	C6H6O3S
Molecular Weight	158.175
Charge	0
Count

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

Molecular Formula	C17H27NO2
Molecular Weight	277.4018
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Molecular Formula	H2O
Molecular Weight	18.0153
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 `Sat Dec 16 14:27:52 UTC 2023` Edited by `admin` on `Sat Dec 16 14:27:52 UTC 2023`
Record UNII	18XP3YT5NH
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

VENLAFAXINE BESYLATE MONOHYDRATE

Common Name

English

CYCLOHEXANOL, 1-(2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE, HYDRATE (1:1:1)

Systematic Name

English

CYCLOHEXANOL, 1-(2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE (SALT), MONOHYDRATE

Systematic Name

English

Venlafaxine besylate monohydrate [WHO-DD]

Common Name

English

Code System Code Type Description

FDA UNII

18XP3YT5NH