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Details

Stereochemistry ACHIRAL
Molecular Formula C17H18N4O5S
Molecular Weight 390.414
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-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-6-(SULFOOXY)-

SMILES

CN1C2=C(C3=CC=CC(OS(O)(=O)=O)=C13)C(=O)N(CC4=C(C)N=CN4)CC2

InChI

InChIKey=QTLZBXQHSBLTND-UHFFFAOYSA-N
InChI=1S/C17H18N4O5S/c1-10-12(19-9-18-10)8-21-7-6-13-15(17(21)22)11-4-3-5-14(16(11)20(13)2)26-27(23,24)25/h3-5,9H,6-8H2,1-2H3,(H,18,19)(H,23,24,25)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-6-(SULFOOXY)-
Systematic Name English
ALOSETRON METABOLITE M6
Common Name English
Code System Code Type Description
FDA UNII
BCP3DQ6JFM
Created by admin on Sat Dec 16 14:27:07 GMT 2023 , Edited by admin on Sat Dec 16 14:27:07 GMT 2023
PRIMARY
CAS
863485-47-6
Created by admin on Sat Dec 16 14:27:07 GMT 2023 , Edited by admin on Sat Dec 16 14:27:07 GMT 2023
PRIMARY
PUBCHEM
156028035
Created by admin on Sat Dec 16 14:27:07 GMT 2023 , Edited by admin on Sat Dec 16 14:27:07 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ALOSETRON
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