Fexofenadinone Hydrochloride
基本情報
- CAS
153439-43-1- 標準SMILES
CC(C)(C(=O)O)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1.Cl- InChIKey
WQPDEFGECAUPKV-UHFFFAOYSA-N- 分子式
- C32H38ClNO4
- 平均分子量
- 536.1 g/mol
名称と識別子
- 優先名称
- Fexofenadinone Hydrochloride
- IUPAC
- 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoic acid;hydrochloride
名称と別名
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
データベース識別子
- CAS
153439-43-1- PubChem CID
- 10230449
物性
構造計算による物性
- 極性表面積
- 77.8 Ų
- 水素結合供与体数
- 3
- 水素結合受容体数
- 5
- 回転可能結合数
- 10
- 重原子数
- 38
- 形式電荷
- 0
- 複雑度
- 718
関連反応
22 件
化合物ノート
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