Lerisetron

HCID 65997
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Basic information

CAS
143257-98-1
Standard SMILES
c1ccc(Cn2c(N3CCNCC3)nc3ccccc32)cc1
InChIKey
PWWDCRQZITYKDV-UHFFFAOYSA-N
Molecular formula
C18H20N4
Average molar mass
292.4 g/mol
Monoisotopic mass
292.16879664

Overview

Lerisetron has been used in trials studying the supportive care of Nausea and Vomiting and Testicular Germ Cell Tumor.

Names & identifiers

Preferred name
Lerisetron
IUPAC
1-benzyl-2-piperazin-1-ylbenzimidazole
English name
Lerisetron
Molecular formula
C18H20N4
Molecular weight
292.38

Names & synonyms

Lerisetron143257-98-1Q36R82SXRG1-Benzyl-2-(1-piperazinyl)benzimidazoleDTXSID90162368lerisetronumRefChem:152881DTXCID5084859F-0930-RS21-Phenyl-Methyl-2-Piperazinyl-1H-Benzimidazole Hydrochloride1-benzyl-2-piperazin-1-ylbenzimidazoleLerisetron [INN]
Show more names
CID 65997F-0930-RSLerisetron, 10 mM in DMSO1-BENZYL-2-PIPERAZIN-1-YL-1H-BENZIMIDAZOLE1H-Benzimidazole, 1-(phenylmethyl)-2-(1-piperazinyl)-1-benzyl-2-piperazin-1-yl-1H-benzimidazole dihydrochloride
1-benzyl-2-(piperazin-1-yl)-1H-1,3-benzodiazole1-Benzyl-2-(piperazin-1-yl)-1H-benzo[d]imidazoleCHEMBL56900UNII-Q36R82SXRG1-Benzyl-2-piperazin-1-yl-1H-benzoimidazoleLERISETRON [WHO-DD]SCHEMBL141124orb1220146

Database identifiers

CAS
143257-98-1
PubChem CID
65997
DTXSID
DTXSID90162368
ChEMBL
CHEMBL56900
UNII
Q36R82SXRG
EC Number
852-556-6
Nikkaji
J550.685I

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
33.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
22

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

storage temp.
-20 °C · Store at -20°C
solubility
58 mg/mL · DMSO: 58 mg/mL (198.37 mM);Ethanol: 58 mg/mL (198.37 mM)
form
Solid
color
White to off-white
Water Solubility
Water: Insoluble
FDA UNII
36 R82SXRG · Q36R82SXRG

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H302-H335-H319
Precautionary statements
P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P

Chemistry & industry

Applications

UsesLerisetron is a potent 5-HT3 antagonists and possess high-affinity binding for the 5-HT3 receptors with pKi value of 9.2. Lerisetron has a potent ability to inhibit the 5-HT-evoked reflex bradycardia in urethane-anesthetized rats[1].

Upstream & downstream products

Suppliers18 total

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]
BOC Sciences1-631-485-4226; 16314854226 · [email protected]
杭州宇昊化工科技有限公司0571-82693216 · [email protected]
山东集润生物医药科技有限公司0539-0539-8613587 17661611089 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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