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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-2-((5-(HYDROXYMETHYL)-1H-IMIDAZOL-4-YL)METHYL)-5-METHYL-

SMILES

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

InChI

InChIKey=JTJWYTFVXBYLLW-UHFFFAOYSA-N
InChI=1S/C17H18N4O2/c1-20-14-5-3-2-4-11(14)16-15(20)6-7-21(17(16)23)8-12-13(9-22)19-10-18-12/h2-5,10,22H,6-9H2,1H3,(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-2-((5-(HYDROXYMETHYL)-1H-IMIDAZOL-4-YL)METHYL)-5-METHYL-
Systematic Name English
2,3,4,5-TETRAHYDRO-2-((5-(HYDROXYMETHYL)-1H-IMIDAZOL-4-YL)METHYL)-5-METHYL-1H-PYRIDO(4,3-B)INDOL-1-ONE
Systematic Name English
ALOSETRON METABOLITE M5
Common Name English
Code System Code Type Description
FDA UNII
QX3DBT3PIH
Created by admin on Sat Dec 16 14:27:09 GMT 2023 , Edited by admin on Sat Dec 16 14:27:09 GMT 2023
PRIMARY
PUBCHEM
145722012
Created by admin on Sat Dec 16 14:27:09 GMT 2023 , Edited by admin on Sat Dec 16 14:27:09 GMT 2023
PRIMARY
CAS
863485-46-5
Created by admin on Sat Dec 16 14:27:09 GMT 2023 , Edited by admin on Sat Dec 16 14:27:09 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ALOSETRON
NIH
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