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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H19NO3
Molecular Weight 285.3383
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

c1cc(C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3)O)cc(c1)C(=O)O

InChI

InChIKey=JASGKFGQGVAOCE-BFYDXBDKSA-N
InChI=1S/C17H19NO3/c19-16(20)13-4-1-3-12(11-13)6-9-17(21)8-2-5-15-14(17)7-10-18-15/h1,3-4,11,14-15,18,21H,2,5,7-8,10H2,(H,19,20)/t14-,15-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H19NO3
Molecular Weight 285.3383
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 Sat Jun 26 10:39:45 UTC 2021
Edited
by admin
on Sat Jun 26 10:39:45 UTC 2021
Record UNII
M05J6K9I6X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)BENZOIC ACID
Systematic Name English
MAVOGLURANT METABOLITE M15
Common Name English
Code System Code Type Description
PUBCHEM
155491114
Created by admin on Sat Jun 26 10:39:46 UTC 2021 , Edited by admin on Sat Jun 26 10:39:46 UTC 2021
PRIMARY PUBCHEM
FDA UNII
M05J6K9I6X
Created by admin on Sat Jun 26 10:39:46 UTC 2021 , Edited by admin on Sat Jun 26 10:39:46 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
URINE