기본 정보
- CAS
153439-43-1- 표준 SMILES
CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl- InChIKey
WQPDEFGECAUPKV-UHFFFAOYSA-N- 분자식
- C32H38ClNO4
- 평균 분자량
- 536.1 g/mol
이름 및 식별자
- 우선 이름
- Fexofenadinone Hydrochloride
- IUPAC
- 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid;hydrochloride
이름 및 동의어
Fexofenadinone Hydrochloride4-[4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic Acid Hydrochloride Salt; 4-[1-Oxo-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]butyl]-a,a-dimethylbenzeneacetic Acid Hydrochloride Salt; USP Fexofenadine Related Compound A HCl Salt4-[4-(4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochlorideSCHEMBL3681404WQPDEFGECAUPKV-UHFFFAOYSA-N4-[4-[ 4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid hydrochloride4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl] -alpha,alpha-dimethylbenzeneacetic acid hydrochloride4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha, alpha-dimethylbenzeneacetic acid hydrochloride
데이터베이스 식별자
- CAS
153439-43-1- PubChem CID
- 10230449
물성
구조 계산 물성
- 극성 표면적
- 77.8 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 718
관련 반응
22건
화합물 노트
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