U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C17H18N4O3
Molecular Weight 326.3498
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-IMIDAZOLIDINEDIONE, 5-METHYL-5-((1,3,4,5-TETRAHYDRO-5-METHYL-1-OXO-2H-PYRIDO(4,3-B)INDOL-2-YL)METHYL)-

SMILES

CN1C2=CC=CC=C2C3=C1CCN(CC4(C)NC(=O)NC4=O)C3=O

InChI

InChIKey=NANKUPYYTFQHEE-UHFFFAOYSA-N
InChI=1S/C17H18N4O3/c1-17(15(23)18-16(24)19-17)9-21-8-7-12-13(14(21)22)10-5-3-4-6-11(10)20(12)2/h3-6H,7-9H2,1-2H3,(H2,18,19,23,24)

HIDE SMILES / InChI

Molecular Formula C17H18N4O3
Molecular Weight 326.3498
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 14:27:09 UTC 2023
Edited
by admin
on Sat Dec 16 14:27:09 UTC 2023
Record UNII
H5QNC75DMM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-IMIDAZOLIDINEDIONE, 5-METHYL-5-((1,3,4,5-TETRAHYDRO-5-METHYL-1-OXO-2H-PYRIDO(4,3-B)INDOL-2-YL)METHYL)-
Systematic Name English
ALOSETRON METABOLITE M26
Common Name English
5-METHYL-5-((1,3,4,5-TETRAHYDRO-5-METHYL-1-OXO-2H-PYRIDO(4,3-B)INDOL-2-YL)METHYL)-2,4-IMIDAZOLIDINEDIONE
Systematic Name English
Code System Code Type Description
FDA UNII
H5QNC75DMM
Created by admin on Sat Dec 16 14:27:10 UTC 2023 , Edited by admin on Sat Dec 16 14:27:10 UTC 2023
PRIMARY
PUBCHEM
11023845
Created by admin on Sat Dec 16 14:27:10 UTC 2023 , Edited by admin on Sat Dec 16 14:27:10 UTC 2023
PRIMARY
CAS
160604-41-1
Created by admin on Sat Dec 16 14:27:10 UTC 2023 , Edited by admin on Sat Dec 16 14:27:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE
in female human urine
URINE
PARENT -> METABOLITE
MINOR
PLASMA
PARENT -> METABOLITE
in male human urine
URINE