기본 정보
- CAS
80842-07-5- 표준 SMILES
C[NH+]1CCCC(COC(=O)COc2ccc(Cl)cc2)C1.[Cl-]- InChIKey
JHJOZTMFSDMYCE-UHFFFAOYSA-N- 분자식
- C15H21Cl2NO3
- 평균 분자량
- 334.2 g/mol
- 단동위원소 질량
- 333.0898489
개요
used in treatment of obesity; structure given in first source
이름 및 식별자
- 우선 이름
- Acetic acid, 2-(4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochloride (1:1)
- IUPAC
- (1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate chloride
이름 및 동의어
PM 17080842-08-6Acetic acid, (4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochlorideRefChem:914966279-575-7Acetic acid, 2-(4-chlorophenoxy)-, (1-methyl-3-piperidinyl)methyl ester, hydrochloride (1:1)(1-Methyl-3-piperidinyl)methyl (4-chlorophenoxy)acetate hydrochloride80842-07-5EINECS 279-575-7Acetic acid, (4-chlorophenoxy)-, (2S-cis)-3-Hydroxymethyl-N-methylpiperidyl (4-chlorophenoxy)acetate3-Hydroxymethyl-N-methylpiperidine 4-chlorophenoxyacetate hydrochloride
이름 더 보기
(1-methylpiperidin-1-ium-3-yl)methyl 2-(4-chlorophenoxy)acetate;chloride(p-Chlorophenoxy)acetic acid (1-methyl-3-piperidyl)methyl ester hydrochloride3-Hydroxymethyl-N-methylpiperidine (4-chlorophenoxy)acetate hydrochloride3-Piperidinemethanol, 1-methyl-, (p-chlorophenoxy)acetate, hydrochloride(4-Chlorophenoxy)acetic acid (1-methyl-3-piperidinyl)methyl ester hydrochlorideAcetic acid, (p-chlorophenoxy)-, (1-methyl-3-piperidyl)methyl ester, hydrochlorideChlorhydrate (chloro-4 phenoxyacetate) de N-methyl hydroxymethyl-3 piperidine [French]Chlorhydrate (chloro-4 phenoxyacetate) de N-methyl hydroxymethyl-3 piperidine
데이터베이스 식별자
물성
구조 계산 물성
- 극성 표면적
- 40 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 305
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