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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-6-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-

SMILES

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

InChI

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

HIDE SMILES / InChI

Molecular Formula C17H18N4O2
Molecular Weight 310.3504
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 15:08:33 UTC 2023
Edited
by admin
on Sat Dec 16 15:08:33 UTC 2023
Record UNII
5Q2P2LRA9J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1H-PYRIDO(4,3-B)INDOL-1-ONE, 2,3,4,5-TETRAHYDRO-6-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-
Systematic Name English
ALOSETRON METABOLITE M22
Common Name English
GR96105
Code English
GR-96105
Code English
2,3,4,5-TETRAHYDRO-6-HYDROXY-5-METHYL-2-((4-METHYL-1H-IMIDAZOL-5-YL)METHYL)-1H-PYRIDO(4,3-B)INDOL-1-ONE
Systematic Name English
6-OH ALOSETRON
Common Name English
Code System Code Type Description
FDA UNII
5Q2P2LRA9J
Created by admin on Sat Dec 16 15:08:33 UTC 2023 , Edited by admin on Sat Dec 16 15:08:33 UTC 2023
PRIMARY
PUBCHEM
19799269
Created by admin on Sat Dec 16 15:08:33 UTC 2023 , Edited by admin on Sat Dec 16 15:08:33 UTC 2023
PRIMARY
CAS
128486-89-5
Created by admin on Sat Dec 16 15:08:33 UTC 2023 , Edited by admin on Sat Dec 16 15:08:33 UTC 2023
PRIMARY
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