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

Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N4O2
Molecular Weight 310.3504
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-7-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-

SMILES

CN1C2=CC(O)=CC=C2C3=C1CCN(CC4=C(C)N=CN4)C3=O

InChI

InChIKey=CXXIOYMDTFXAIN-UHFFFAOYSA-N
InChI=1S/C17H18N4O2/c1-10-13(19-9-18-10)8-21-6-5-14-16(17(21)23)12-4-3-11(22)7-15(12)20(14)2/h3-4,7,9,22H,5-6,8H2,1-2H3,(H,18,19)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-7-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-
Common Name English
ALOSETRON METABOLITE M2
Common Name English
2,3,4,5-TETRAHYDRO-7-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-1H-PYRIDO(4,3-B)INDOL-1-ONE
Common Name English
GR163860
Common Name English
7-OH ALOSETRON
Common Name English
Code System Code Type Description
FDA UNII
GMQ9U2S2PG
Created by admin on Sat Dec 16 15:10:05 GMT 2023 , Edited by admin on Sat Dec 16 15:10:05 GMT 2023
PRIMARY
CAS
863485-44-3
Created by admin on Sat Dec 16 15:10:05 GMT 2023 , Edited by admin on Sat Dec 16 15:10:05 GMT 2023
PRIMARY
PUBCHEM
131886242
Created by admin on Sat Dec 16 15:10:05 GMT 2023 , Edited by admin on Sat Dec 16 15:10:05 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ALOSETRON
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966