기본 정보
- CAS
76815-56-0- 표준 SMILES
CC(C)(CO)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
ZIQKFOOBIMENJF-UHFFFAOYSA-N- 분자식
- C32H41NO3
- 평균 분자량
- 487.7 g/mol
- 단동위원소 질량
- 487.30864417
이름 및 식별자
- 우선 이름
- Hydroxyterfenadine
- IUPAC
- 4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-ol
이름 및 동의어
hydroxyterfenadine3CUU45Q3QVMDL-1752376815-56-0MDL 175231-Piperidinebutanol, alpha-(4-(2-hydroxy-1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-alpha-(4-(2-Hydroxy-1,1-dimethylethyl)phenyl)-4-(hydroxydiphenylmethyl)-1-piperidinebutanol.ALPHA.-(4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-1-PIPERIDINEBUTANOL1-PIPERIDINEBUTANOL, .ALPHA.-(4-(2-HYDROXY-1,1-DIMETHYLETHYL)PHENYL)-4-(HYDROXYDIPHENYLMETHYL)-RefChem:201205UNII-3CUU45Q3QVHydroxy Terfenadine
이름 더 보기
SCHEMBL1100498DTXSID50892270ZIQKFOOBIMENJF-UHFFFAOYSA-NNS001164182-(4-(1-Hydroxy-4-(4-(hydroxydiphenylmethyl)-1-piperidinyl)-butyl)-phenyl)-2-methyl-propanol4-{4-[hydroxy(diphenyl)methyl]piperidin-1-yl}-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-ol4-{4-[Hydroxydi(phenyl)methyl]piperidin-1-yl}-1-[4-(1-hydroxy-2-methylpropan-2-yl)phenyl]butan-1-olalpha,alpha-Diphenyl-1-[4-[4-(hydroxy-tert-butyl)phenyl]-4-hydroxybutyl]-4-piperidinemethanol
데이터베이스 식별자
- CAS
76815-56-0- PubChem CID
- 9805485
- DTXSID
DTXSID50892270- UNII
- 3CUU45Q3QV
- Nikkaji
- J487.545A
물성
구조 계산 물성
- XLogP
- 5.3
- 극성 표면적
- 63.9 Ų
- 수소 결합 공여자 수
- 3
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 10
- 무거운 원자 수
- 36
- 형식 전하
- 0
- 복잡도
- 605
화학 및 산업
약리 정보
Metabolism/MetabolitesHydroxyterfenadine is a known human metabolite of terfenadine.
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