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Details

Stereochemistry ABSOLUTE
Molecular Formula C17H21NO
Molecular Weight 255.3554
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-INDOL-4-OL, OCTAHYDRO-4-(2-(3-METHYLPHENYL)ETHYNYL)-, (3AR,4S,7AR)

SMILES

Cc1cccc(C#C[C@@]2(CCC[C@]3([H])[C@@]2([H])CCN3)O)c1

InChI

InChIKey=GHYROUUXOILKBN-BRWVUGGUSA-N
InChI=1S/C17H21NO/c1-13-4-2-5-14(12-13)7-10-17(19)9-3-6-16-15(17)8-11-18-16/h2,4-5,12,15-16,18-19H,3,6,8-9,11H2,1H3/t15-,16-,17-/m1/s1

HIDE SMILES / InChI

Molecular Formula C17H21NO
Molecular Weight 255.3554
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 12:46:20 UTC 2021
Edited
by admin
on Sat Jun 26 12:46:20 UTC 2021
Record UNII
3I7Q54OZV9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-INDOL-4-OL, OCTAHYDRO-4-(2-(3-METHYLPHENYL)ETHYNYL)-, (3AR,4S,7AR)
Systematic Name English
MAVOGLURANT METABOLITE M25
Common Name English
Code System Code Type Description
PUBCHEM
67123077
Created by admin on Sat Jun 26 12:46:20 UTC 2021 , Edited by admin on Sat Jun 26 12:46:20 UTC 2021
PRIMARY
CAS
1636938-30-1
Created by admin on Sat Jun 26 12:46:20 UTC 2021 , Edited by admin on Sat Jun 26 12:46:20 UTC 2021
PRIMARY
FDA UNII
3I7Q54OZV9
Created by admin on Sat Jun 26 12:46:20 UTC 2021 , Edited by admin on Sat Jun 26 12:46:20 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
PLASMA; URINE