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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H27NO2.C6H6O3S
Molecular Weight 435.577
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

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

SMILES

OS(=O)(=O)C1=CC=CC=C1.COC2=CC=C(C=C2)[C@@H](CN(C)C)C3(O)CCCCC3

InChI

InChIKey=PTEFWGKCGCNHDM-PKLMIRHRSA-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-;/m1./s1

HIDE SMILES / InChI

Molecular Formula C17H27NO2
Molecular Weight 277.4018
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Molecular Formula C6H6O3S
Molecular Weight 158.175
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 14:50:56 UTC 2023
Edited
by admin
on Sat Dec 16 14:50:56 UTC 2023
Record UNII
AL5UH8PGJ7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
VENLAFAXINE BESYLATE, (S)-
Common Name English
CYCLOHEXANOL, 1-((1S)-2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE (SALT)
Systematic Name English
CYCLOHEXANOL, 1-((1S)-2-(DIMETHYLAMINO)-1-(4-METHOXYPHENYL)ETHYL)-, BENZENESULFONATE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
133082408
Created by admin on Sat Dec 16 14:50:57 UTC 2023 , Edited by admin on Sat Dec 16 14:50:57 UTC 2023
PRIMARY
FDA UNII
AL5UH8PGJ7
Created by admin on Sat Dec 16 14:50:57 UTC 2023 , Edited by admin on Sat Dec 16 14:50:57 UTC 2023
PRIMARY
CAS
609345-61-1
Created by admin on Sat Dec 16 14:50:57 UTC 2023 , Edited by admin on Sat Dec 16 14:50:57 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER
PARENT -> SALT/SOLVATE