(+/-)-디데스메틸시부트라민

Didesmethylsibutramine

HCID 134772CAS 84467-54-9

부분 구조 검색 유사 구조 찾기

기본 정보

표준 SMILES: CC(C)CC(N)C1(c2ccc(Cl)cc2)CCC1
InChIKey: WQSACWZKKZPCHN-UHFFFAOYSA-N
분자식: C15H22ClN
평균 분자량: 251.79 g/mol
단동위원소 질량: 251.14407738

이름 및 식별자

우선 이름: Didesmethylsibutramine
IUPAC: 1-[1-(4-chlorophenyl)cyclobutyl]-3-methylbutan-1-amine
현지명: (+/-)-디데스메틸시부트라민
영어명: (+/-)-Didesmethylsibutramine
분자식: C15H22ClN
분자량: 251.79

이름 및 동의어

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)-

이름 더 보기

(+/-)-디데스메틸시부트라민Cyclobutanemethanamine1-(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)-

데이터베이스 식별자

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

물성

구조 계산 물성

XLogP: 4.5
극성 표면적: 26 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 1
회전 가능 결합 수: 4
무거운 원자 수: 17
형식 전하: 0
복잡도: 239

물리화학적 성질

끓는 점: 337.9 · 337.9±25.0 °C(Predicted)
밀도: 1.072 · 1.072±0.06 g/cm3(Predicted)
저장 조건: Refrigerator
용해도: 클로로포름(약간 용해됨), 에틸아세테이트(약간 용해됨)
산도 계수 (pKa): 10.82 · 10.82±0.42(Predicted)
물리적 상태: 기름
색상: 투명 무색
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

화학적 성질

Colourless Oil

안전 및 규제

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

약리 정보

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

MeSH Pharmacological Classification · 2건

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.