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

Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO4
Molecular Weight 329.3902
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(4-HYDROXY-3-METHYL-PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

SMILES

[H][C@@]12CCC[C@@](O)(C#CC3=CC(C)=C(O)C=C3)[C@]1([H])CCN2C(=O)OC

InChI

InChIKey=KBILEEBMLWSVTP-GPMSIDNRSA-N
InChI=1S/C19H23NO4/c1-13-12-14(5-6-17(13)21)7-10-19(23)9-3-4-16-15(19)8-11-20(16)18(22)24-2/h5-6,12,15-16,21,23H,3-4,8-9,11H2,1-2H3/t15-,16-,19-/m1/s1

HIDE SMILES / InChI

Molecular Formula C19H23NO4
Molecular Weight 329.3902
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 Dec 16 16:12:29 GMT 2023
Edited
by admin
on Sat Dec 16 16:12:29 GMT 2023
Record UNII
Z5H0RDR1L2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(4-HYDROXY-3-METHYL-PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE
Systematic Name English
MAVOGLURANT METABOLITE M3
Common Name English
Code System Code Type Description
PUBCHEM
155491051
Created by admin on Sat Dec 16 16:12:29 GMT 2023 , Edited by admin on Sat Dec 16 16:12:29 GMT 2023
PRIMARY PUBCHEM
FDA UNII
Z5H0RDR1L2
Created by admin on Sat Dec 16 16:12:29 GMT 2023 , Edited by admin on Sat Dec 16 16:12:29 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA
PARENT -> METABOLITE
FECAL