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

Details

Stereochemistry ABSOLUTE
Molecular Formula C16H25NO2
Molecular Weight 263.3752
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-DESMETHYLVENLAFAXINE, (-)-

SMILES

CN(C)C[C@@H](C1=CC=C(O)C=C1)C2(O)CCCCC2

InChI

InChIKey=KYYIDSXMWOZKMP-HNNXBMFYSA-N
InChI=1S/C16H25NO2/c1-17(2)12-15(13-6-8-14(18)9-7-13)16(19)10-4-3-5-11-16/h6-9,15,18-19H,3-5,10-12H2,1-2H3/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C16H25NO2
Molecular Weight 263.3752
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

PubMed

PubMed

TitleDatePubMed
Substance Class Chemical
Created
by admin
on Sat Dec 16 01:28:49 UTC 2023
Edited
by admin
on Sat Dec 16 01:28:49 UTC 2023
Record UNII
HY5T9WKI4O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-DESMETHYLVENLAFAXINE, (-)-
Common Name English
PHENOL, 4-(2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)-, (R)-
Common Name English
(R)-(-)-O-DESMETHYLVENLAFAXINE
Common Name English
(-)-O-DESMETHYLVENLAFAXINE
Common Name English
(-)-DESVENLAFAXINE
Common Name English
PHENOL, 4-((1R)-2-(DIMETHYLAMINO)-1-(1-HYDROXYCYCLOHEXYL)ETHYL)-
Systematic Name English
Code System Code Type Description
FDA UNII
HY5T9WKI4O
Created by admin on Sat Dec 16 01:28:49 UTC 2023 , Edited by admin on Sat Dec 16 01:28:49 UTC 2023
PRIMARY
CAS
142761-11-3
Created by admin on Sat Dec 16 01:28:49 UTC 2023 , Edited by admin on Sat Dec 16 01:28:49 UTC 2023
PRIMARY
EPA CompTox
DTXSID10162168
Created by admin on Sat Dec 16 01:28:49 UTC 2023 , Edited by admin on Sat Dec 16 01:28:49 UTC 2023
PRIMARY
PUBCHEM
12018336
Created by admin on Sat Dec 16 01:28:49 UTC 2023 , Edited by admin on Sat Dec 16 01:28:49 UTC 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER