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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO4
Molecular Weight 301.3377
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-HYDROXYBENZOIC ACID

SMILES

C1C[C@]2([H])[C@@]([H])(CCN2)[C@@](C1)(C#Cc3ccc(c(c3)C(=O)O)O)O

InChI

InChIKey=ZKQPQHPHAJWPQG-CKEIUWERSA-N
InChI=1S/C17H19NO4/c19-15-4-3-11(10-12(15)16(20)21)5-8-17(22)7-1-2-14-13(17)6-9-18-14/h3-4,10,13-14,18-19,22H,1-2,6-7,9H2,(H,20,21)/t13-,14-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19NO4
Molecular Weight 301.3377
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Jun 25 22:45:15 UTC 2021
Edited
by admin
on Fri Jun 25 22:45:15 UTC 2021
Record UNII
T7P26XM9B0
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-HYDROXYBENZOIC ACID
Systematic Name English
MAVOGLURANT METABOLITE M13
Common Name English
Code System Code Type Description
PUBCHEM
155491190
Created by admin on Fri Jun 25 22:45:15 UTC 2021 , Edited by admin on Fri Jun 25 22:45:15 UTC 2021
PRIMARY PUBCHEM
FDA UNII
T7P26XM9B0
Created by admin on Fri Jun 25 22:45:15 UTC 2021 , Edited by admin on Fri Jun 25 22:45:15 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
PLASMA