Rimonabant Hydrochloride

HCID 104849CAS 158681-13-1

部分構造検索類似構造を探す

基本情報

標準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
単同位体質量: 498.05477204

概要

See also: Rimonabant (has active moiety).

名称と識別子

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

名称と別名

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

名称をさらに表示

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

データベース識別子

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

物性

構造計算による物性

極性表面積: 50.2 Å²
水素結合供与体数: 2
水素結合受容体数: 3
回転可能結合数: 4
重原子数: 31
形式電荷: 0
複雑度: 583

安全と法規制

GHS分類

GHS Classification · 4 件

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.

危険有害性情報

Hazard Classes and CategoriesAcute Tox. 3 (97.5%)

化学と産業

薬理情報

MeSH Pharmacological Classification · 2 件

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

Compounds that inhibit or block the activity of CANNABINOID RECEPTORS.