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Details

Stereochemistry RACEMIC
Molecular Formula C16H25NO2.C7H6O2
Molecular Weight 385.4965
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DESVENLAFAXINE BENZOATE

SMILES

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

InChI

InChIKey=DGJCDBBBNQGOIR-UHFFFAOYSA-N
InChI=1S/C16H25NO2.C7H6O2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16;8-7(9)6-4-2-1-3-5-6/h6-9,15,18-19H,3-5,10-12H2,1-2H3;1-5H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C7H6O2
Molecular Weight 122.1213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C16H25NO2
Molecular Weight 263.3752
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:55:18 UTC 2023
Edited
by admin
on Sat Dec 16 08:55:18 UTC 2023
Record UNII
ZG9HEJ3BBR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DESVENLAFAXINE BENZOATE
Common Name English
Desvenlafaxine benzoate [WHO-DD]
Common Name English
PHENOL, 4-(2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)-, BENZOATE (1:1)
Systematic Name English
Code System Code Type Description
SMS_ID
300000027151
Created by admin on Sat Dec 16 08:55:18 UTC 2023 , Edited by admin on Sat Dec 16 08:55:18 UTC 2023
PRIMARY
CAS
1147940-37-1
Created by admin on Sat Dec 16 08:55:18 UTC 2023 , Edited by admin on Sat Dec 16 08:55:18 UTC 2023
PRIMARY
PUBCHEM
25265778
Created by admin on Sat Dec 16 08:55:18 UTC 2023 , Edited by admin on Sat Dec 16 08:55:18 UTC 2023
PRIMARY
FDA UNII
ZG9HEJ3BBR
Created by admin on Sat Dec 16 08:55:18 UTC 2023 , Edited by admin on Sat Dec 16 08:55:18 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY