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

SMILES

Cc1cc(ccc1O)C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3C(=O)OC)O

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 329.3909
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 09:54:36 UTC 2021
Edited
by admin
on Sat Jun 26 09:54:36 UTC 2021
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 Jun 26 09:54:36 UTC 2021 , Edited by admin on Sat Jun 26 09:54:36 UTC 2021
PRIMARY PUBCHEM
FDA UNII
Z5H0RDR1L2
Created by admin on Sat Jun 26 09:54:36 UTC 2021 , Edited by admin on Sat Jun 26 09:54:36 UTC 2021
PRIMARY
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