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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO2
Molecular Weight 271.3548
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

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

SMILES

Cc1cc(ccc1O)C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3)O

InChI

InChIKey=KXVHHRACUOELNM-BFYDXBDKSA-N
InChI=1S/C17H21NO2/c1-12-11-13(4-5-16(12)19)6-9-17(20)8-2-3-15-14(17)7-10-18-15/h4-5,11,14-15,18-20H,2-3,7-8,10H2,1H3/t14-,15-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO2
Molecular Weight 271.3548
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 09:14:10 UTC 2021
Edited
by admin
on Sat Jun 26 09:14:10 UTC 2021
Record UNII
84SS7RH6TA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
(3AR,4S,7AR)-4-(2-(4-HYDROXY-3-METHYL-PHENYL)ETHYNYL)-1,2,3,3A,5,6,7,7A-OCTAHYDROINDOL-4-OL
Systematic Name English
MAVOGLURANT METABOLITE M16
Common Name English
Code System Code Type Description
PUBCHEM
155491300
Created by admin on Sat Jun 26 09:14:10 UTC 2021 , Edited by admin on Sat Jun 26 09:14:10 UTC 2021
PRIMARY PUBCHEM
FDA UNII
84SS7RH6TA
Created by admin on Sat Jun 26 09:14:10 UTC 2021 , Edited by admin on Sat Jun 26 09:14:10 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
URINE
PARENT -> METABOLITE
PLASMA