LUROSETRON

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17FN4O
Molecular Weight	312.3415
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1C2=C(C3=C1C(F)=CC=C3)C(=O)N(CC4=C(C)NC=N4)CC2

InChI

InChIKey=NUMKWGDDRWJQMY-UHFFFAOYSA-N

InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20)

HIDE SMILES / InChI

Molecular Formula	C17H17FN4O
Molecular Weight	312.3415
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Description
Sources: https://adisinsight.springer.com/drugs/800002948

Lurosetron (GR 87442) is a serotonin 5HT3 receptor antagonist. It was undergoing clinical evaluation with Glaxo Wellcome in the UK as a potential drug for the treatment of emesis.

Originator

Approval Year

PubMed

Title	Date	PubMed
The metabolism of the 5HT3 antagonists ondansetron, alosetron and GR87442 I: a comparison of in vitro and in vivo metabolism and in vitro enzyme kinetics in rat, dog and human hepatocytes, microsomes and recombinant human enzymes.	2007 Aug	17701832
The metabolism of the 5HT3 antagonists, ondansetron, alosetron and GR87442 II: investigation into the in vitro methods used to predict the in vivo hepatic clearance of ondansetron, alosetron and GR87442 in the rat, dog and human.	2007 Aug	17701833

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:52:32 GMT 2023` Edited by `admin` on `Fri Dec 15 16:52:32 GMT 2023`
Record UNII	G694G740ZP
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUROSETRON

Official Name

English

lurosetron [INN]

Common Name

English

GR-87442

Code

English

1H-PYRIDO(4,3-B)INDOL-1-ONE, 6-FLUORO-2,3,4,5-TETRAHYDRO-5-METHYL-2-((5-METHYL-1H-IMIDAZOL-4-YL)METHYL)-

Systematic Name

English

6-FLUORO-2,3,4,5-TETRAHYDRO-5-METHYL-2-((5-METHYLIMIDAZOL-4-YL)METHYL)-1H-PYRIDO(4,3-B)INDOL-1-ONE

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C94726