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	C17H17FN4O
Molecular Weight	312.3415
Charge	0
Count

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

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

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

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:23:41 UTC 2023` Edited by `admin` on `Fri Dec 15 17:23:41 UTC 2023`
Record UNII	P8J1ZG693E
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LUROSETRON MESYLATE

Official Name

English

GR-87442-N

Code

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