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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO5S
Molecular Weight 351.4191
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (4-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-METHYL-PHENYL) HYDROGEN SULFATE

SMILES

Cc1cc(ccc1OS(=O)(=O)O)C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3)O

InChI

InChIKey=COZPVVMUYZSORG-BFYDXBDKSA-N
InChI=1S/C17H21NO5S/c1-12-11-13(4-5-16(12)23-24(20,21)22)6-9-17(19)8-2-3-15-14(17)7-10-18-15/h4-5,11,14-15,18-19H,2-3,7-8,10H2,1H3,(H,20,21,22)/t14-,15-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO5S
Molecular Weight 351.4191
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 14:50:39 UTC 2021
Edited
by admin
on Sat Jun 26 14:50:39 UTC 2021
Record UNII
EK41CQ362G
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(4-(2-((3AR,4S,7AR)-4-HYDROXY-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-YL)ETHYNYL)-2-METHYL-PHENYL) HYDROGEN SULFATE
Systematic Name English
MAVOGLURANT METABOLITE M14
Common Name English
Code System Code Type Description
PUBCHEM
155491215
Created by admin on Sat Jun 26 14:50:39 UTC 2021 , Edited by admin on Sat Jun 26 14:50:39 UTC 2021
PRIMARY PUBCHEM
FDA UNII
EK41CQ362G
Created by admin on Sat Jun 26 14:50:39 UTC 2021 , Edited by admin on Sat Jun 26 14:50:39 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
PLASMA