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

Details

Stereochemistry ABSOLUTE
Molecular Formula C10H12N2O2
Molecular Weight 192.2145
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3'-HYDROXYCOTININE, TRANS-

SMILES

CN1[C@@H](C[C@@H](O)C1=O)C2=CN=CC=C2

InChI

InChIKey=XOKCJXZZNAUIQN-DTWKUNHWSA-N
InChI=1S/C10H12N2O2/c1-12-8(5-9(13)10(12)14)7-3-2-4-11-6-7/h2-4,6,8-9,13H,5H2,1H3/t8-,9+/m0/s1

HIDE SMILES / InChI

Molecular Formula C10H12N2O2
Molecular Weight 192.2145
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 2 / 2
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 15:33:29 GMT 2023
Edited
by admin
on Fri Dec 15 15:33:29 GMT 2023
Record UNII
H7LH47Y29A
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3'-HYDROXYCOTININE, TRANS-
Common Name English
TRANS-3'-HYDROXYCOTININE
Common Name English
(3'R,5'S)-3'-HYDROXYCOTININE
Common Name English
2-PYRROLIDINONE, 3-HYDROXY-1-METHYL-5-(3-PYRIDINYL)-, (3R,5S)-
Systematic Name English
Code System Code Type Description
CHEBI
71182
Created by admin on Fri Dec 15 15:33:29 GMT 2023 , Edited by admin on Fri Dec 15 15:33:29 GMT 2023
PRIMARY
FDA UNII
H7LH47Y29A
Created by admin on Fri Dec 15 15:33:29 GMT 2023 , Edited by admin on Fri Dec 15 15:33:29 GMT 2023
PRIMARY
PUBCHEM
107963
Created by admin on Fri Dec 15 15:33:29 GMT 2023 , Edited by admin on Fri Dec 15 15:33:29 GMT 2023
PRIMARY
EPA CompTox
DTXSID30873224
Created by admin on Fri Dec 15 15:33:29 GMT 2023 , Edited by admin on Fri Dec 15 15:33:29 GMT 2023
PRIMARY
CAS
34834-67-8
Created by admin on Fri Dec 15 15:33:29 GMT 2023 , Edited by admin on Fri Dec 15 15:33:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE