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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H21NO5
Molecular Weight 343.3745
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-METHOXYCARBONYL-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOL-4-YL)ETHYNYL)BENZOIC ACID

SMILES

COC(=O)N1CC[C@]2([H])[C@@]1([H])CCC[C@]2(C#Cc3cccc(c3)C(=O)O)O

InChI

InChIKey=VIPDTPVVNKFRDW-GPMSIDNRSA-N
InChI=1S/C19H21NO5/c1-25-18(23)20-11-8-15-16(20)6-3-9-19(15,24)10-7-13-4-2-5-14(12-13)17(21)22/h2,4-5,12,15-16,24H,3,6,8-9,11H2,1H3,(H,21,22)/t15-,16-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H21NO5
Molecular Weight 343.3745
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 01:40:18 UTC 2021
Edited
by admin
on Sat Jun 26 01:40:18 UTC 2021
Record UNII
3LH77AR3YL
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-((3AR,4S,7AR)-4-HYDROXY-1-METHOXYCARBONYL-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOL-4-YL)ETHYNYL)BENZOIC ACID
Systematic Name English
MAVOGLURANT METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
3LH77AR3YL
Created by admin on Sat Jun 26 01:40:18 UTC 2021 , Edited by admin on Sat Jun 26 01:40:18 UTC 2021
PRIMARY
PUBCHEM
155491181
Created by admin on Sat Jun 26 01:40:18 UTC 2021 , Edited by admin on Sat Jun 26 01:40:18 UTC 2021
PRIMARY PUBCHEM
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