Didesmethylsibutramine

HCID 134772

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基本情報

CAS: 84467-54-9
標準SMILES: CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIKey: WQSACWZKKZPCHN-UHFFFAOYSA-N
分子式: C15H22ClN
平均分子量: 251.79 g/mol
単同位体質量: 251.14407738

名称と識別子

優先名称: Didesmethylsibutramine
IUPAC: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine
英語名: (+/-)-Didesmethylsibutramine
分子式: C15H22ClN
分子量: 251.79

名称と別名

didesmethylsibutramine1-(1-(4-Chlorophenyl)cyclobutyl)-3-methylbutan-1-amine1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amineDidemethylsibutramineN-Didemethylsibutramine987R943R3P(1-(4-Chlorophenyl)cyclobutyl)-3-methylbutylamineDTXSID801004734di-desmethylsibutramineRefChem:200540DTXCID90218536CYCLOBUTANEMETHANAMINE, 1-(4-CHLOROPHENYL)-ALPHA-(2-METHYLPROPYL)-

名称をさらに表示

Cyclobutanemethanamine1-(4-chlorophenyl)]-α-(2-methylpropyl)-[1-(4-chlorophenyl)]-alpha-(2-methylpropyl)1-[1-(4-CHLOROPYENYL)CYCLOBUTYL]-3-METHYLBUTYLAMINE1-[1-(4-CHLOROPHENYL)CYCLOBUTYL]-3-METHYLBUTYLAMINE1-(-4-CHLOROPHENYL)-ALPHA-(2- METHYLPROPYL)CYCLOBUTANE

617-571-284467-54-9Didesmethyl SibutramineN-Didesmethylsibutramine(+/-)-DidesmethylsibutramineMFCD066589401-[1-(4-Chlorophenyl)cyclobutyl]-3-methyl-1-butylamineCyclobutanemethanamine, 1-(4-chlorophenyl)-a-(2-methylpropyl)-

データベース識別子

CAS: 84467-54-9
PubChem CID: 134772
DTXSID: DTXSID801004734
ChEMBL: CHEMBL1625728
UNII: 987R943R3P
EC Number: 617-571-2
Nikkaji: J553.373B

物性

構造計算による物性

XLogP: 4.5
極性表面積: 26 Å²
水素結合供与体数: 1
水素結合受容体数: 1
回転可能結合数: 4
重原子数: 17
形式電荷: 0
複雑度: 239

物理化学的性質

沸点: 337.9 · 337.9±25.0 °C(Predicted)
比重(密度): 1.072 · 1.072±0.06 g/cm3(Predicted)
貯蔵温度: Refrigerator
溶解性: クロロホルム（微量）、酢酸エチル（微量）
酸解離定数(Pka): 10.82 · 10.82±0.42(Predicted)
外見: 油
色: 無色透明
InChI: InChI=1S/C15H22ClN/c1-11(2)10-14(17)15(8-3-9-15)12-4-6-13(16)7-5-12/h4-7,11,14H,3,8-10,17H2,1-2H3
InChIKey: WQSACWZKKZPCHN-UHFFFAOYSA-N
SMILES: C1(CCC1)(C1=CC=C(C=C1)Cl)C(N)CC(C)C

化学的性質

化学的特性Colourless Oil

安全と法規制

安全データ

危険有害性情報: コード危険有害性情報危険有害性クラス区分注意喚起語シンボル P コード H302

化学と産業

薬理情報

Metabolism/Metabolites1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutylamine is a known human metabolite of Desmethylsibutramine, (S)-.

MeSH Pharmacological Classification · 2 件

Mood-stimulating drugs used primarily in the treatment of affective disorders and related conditions. Several MONOAMINE OXIDASE INHIBITORS are useful as antidepressants apparently as a long-term consequence of their modulation of catecholamine levels. The tricyclic compounds useful as antidepressive agents (ANTIDEPRESSIVE AGENTS, TRICYCLIC) also appear to act through brain catecholamine systems. A third group (ANTIDEPRESSIVE AGENTS, SECOND-GENERATION) is a diverse group of drugs including some that act specifically on serotonergic systems.

Agents that are used to suppress appetite.