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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-(3-(HYDROXYMETHYL)PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE

SMILES

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

InChI

InChIKey=XKALILIXJRUNMB-ZHALLVOQSA-N
InChI=1S/C19H23NO4/c1-24-18(22)20-11-8-16-17(20)6-3-9-19(16,23)10-7-14-4-2-5-15(12-14)13-21/h2,4-5,12,16-17,21,23H,3,6,8-9,11,13H2,1H3/t16-,17-,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 16:08:36 UTC 2023
Edited
by admin
on Sat Dec 16 16:08:36 UTC 2023
Record UNII
025ETN83AM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
METHYL (3AR,4S,7AR)-4-HYDROXY-4-(2-(3-(HYDROXYMETHYL)PHENYL)ETHYNYL)-3,3A,5,6,7,7A-HEXAHYDRO-2H-INDOLE-1-CARBOXYLATE
Systematic Name English
MAVOGLURANT METABOLITE M7
Common Name English
Code System Code Type Description
PUBCHEM
155491078
Created by admin on Sat Dec 16 16:08:36 UTC 2023 , Edited by admin on Sat Dec 16 16:08:36 UTC 2023
PRIMARY PUBCHEM
FDA UNII
025ETN83AM
Created by admin on Sat Dec 16 16:08:36 UTC 2023 , Edited by admin on Sat Dec 16 16:08:36 UTC 2023
PRIMARY
Related Record Type Details
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