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Details

Stereochemistry ABSOLUTE
Molecular Formula C19H23NO4
Molecular Weight 329.3909
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

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

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 329.3909
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 00:08:59 UTC 2021
Edited
by admin
on Sat Jun 26 00:08:59 UTC 2021
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 Jun 26 00:08:59 UTC 2021 , Edited by admin on Sat Jun 26 00:08:59 UTC 2021
PRIMARY PUBCHEM
FDA UNII
025ETN83AM
Created by admin on Sat Jun 26 00:08:59 UTC 2021 , Edited by admin on Sat Jun 26 00:08:59 UTC 2021
PRIMARY
Related Record Type Details
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