U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO2.C6H6O3S
Molecular Weight 435.5788
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of VENLAFAXINE BESYLATE, (R)-

SMILES

CN(C)C[C@@]([H])(c1ccc(cc1)OC)C2(CCCCC2)O.c1ccc(cc1)S(=O)(=O)O

InChI

InChIKey=PTEFWGKCGCNHDM-NTISSMGPSA-N
InChI=1S/C17H27NO2.C6H6O3S/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)/t16-;/m0./s1

HIDE SMILES / InChI

Molecular Formula C17H27NO2
Molecular Weight 277.4024
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H6O3S
Molecular Weight 158.1764
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 Jun 26 05:29:54 UTC 2021
Edited
by admin
on Sat Jun 26 05:29:54 UTC 2021
Record UNII
Q5U4V043UP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VENLAFAXINE BESYLATE, (R)-
Common Name English
CYCLOHEXANOL, 1-((1R)-2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE (1:1)
Systematic Name English
CYCLOHEXANOL, 1-((1R)-2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE (SALT)
Systematic Name English
Code System Code Type Description
CAS
609345-60-0
Created by admin on Sat Jun 26 05:29:55 UTC 2021 , Edited by admin on Sat Jun 26 05:29:55 UTC 2021
PRIMARY
PUBCHEM
133082409
Created by admin on Sat Jun 26 05:29:55 UTC 2021 , Edited by admin on Sat Jun 26 05:29:55 UTC 2021
PRIMARY
FDA UNII
Q5U4V043UP
Created by admin on Sat Jun 26 05:29:55 UTC 2021 , Edited by admin on Sat Jun 26 05:29:55 UTC 2021
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE