LUROSETRON MESYLATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C17H17FN4O.CH4O3S
Molecular Weight	408.447
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=BJKXXMOJBNLJJY-UHFFFAOYSA-N

InChI=1S/C17H17FN4O.CH4O3S/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;1-5(2,3)4/h3-5,9H,6-8H2,1-2H3,(H,19,20);1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula	CH4O3S
Molecular Weight	96.106
Charge	0
Count

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

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.	2007-08	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.	2007-08	17701833

Substance Class	Chemical Created by `admin` on `Mon Mar 31 18:45:34 GMT 2025` Edited by `admin` on `Mon Mar 31 18:45:34 GMT 2025`
Record UNII	P8J1ZG693E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

GR 87442 N

Preferred Name

English

LUROSETRON MESYLATE

Official Name

English

GR-87442-N

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)-, MONOMETHANESULPHONATE

Systematic Name

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)-, MONOMETHANESULFONATE

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 monomethanesulfonate

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 MONOMETHANESULPHONATE

Systematic Name

English

LUROSETRON MESILATE

Common Name

English

GR-87442 N

Code

English

LUROSETRON MESYLATE [USAN]

Common Name

English

Classification Tree Code System Code

NCI_THESAURUS

C94726