Rimonabant Hydrochloride

HCID 104849CAS 158681-13-1
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基本信息

标准SMILES
Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1.Cl
InChIKey
REOYOKXLUFHOBV-UHFFFAOYSA-N
分子式
C22H22Cl4N4O
平均分子量
500.2 g/mol
单同位素质量
498.05477204

概述

See also: Rimonabant (has active moiety).

名称与标识

首选名称
Rimonabant Hydrochloride
IUPAC
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-piperidin-1-ylpyrazole-3-carboxamide;hydrochloride

名称与别名

Rimonabant hydrochloride158681-13-1HL0V2LQZ095-(4-Chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-1H-pyrazole-3-carboxamide monohydrochlorideN-(Piperidin-1-yl)-5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-1H-pyrazole-3-carboxamide hydrochlorideDTXSID20166495RefChem:179471DTXCID3088986Rimonabant HClRimonabant (Hydrochloride)SR 141716A5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-(piperidin-1-yl)-1H-pyrazole-3-carboxamide hydrochloride
展开更多名称
MFCD00934884SR 141716A (Hydrochloride)1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, hydrochloride (1:1)1H-Pyrazole-3-carboxamide, 5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-N-1-piperidinyl-, monohydrochlorideRimonabant-d10HydrochlorideCHEMBL558598UNII-HL0V2LQZ09C22H22Cl4N4O

数据库标识

CAS
158681-13-1
PubChem CID
104849
DTXSID
DTXSID20166495
ChEMBL
CHEMBL558598
UNII
HL0V2LQZ09
EC Number
806-144-8

性质

结构计算性质

极性表面积
50.2 Ų
氢键供体
2
氢键受体
3
可旋转键
4
重原子
31

安全与法规

GHS分类

GHS Classification · 4 条

Danger

H301 (97.5%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P316, P305+P351+P338, P321, P330, P337+P317, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

化学与工业

药理信息

MeSH Pharmacological Classification · 2 条

Agents that increase energy expenditure and weight loss by neural and metabolic regulation.

Compounds that inhibit or block the activity of CANNABINOID RECEPTORS.

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