4'-tert-부틸-4-[4-(히드록시벤즈히드릴)피페리디노]부티로페논

4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone

HCID 39380
노트반응
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기본 정보

CAS
43076-30-8
표준 SMILES
CC(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1
InChIKey
YCADFOXVGUGHRV-UHFFFAOYSA-N
분자식
C32H39NO2
평균 분자량
469.7 g/mol
단동위원소 질량
469.29807949

이름 및 식별자

우선 이름
4'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone
IUPAC
1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one
현지명
4'-tert-부틸-4-[4-(히드록시벤즈히드릴)피페리디노]부티로페논
영어명
4'-tert-butyl-4-[4-(hydroxybenzhydryl)piperidino]butyrophenone
분자식
C32H39NO2
분자량
469.66

이름 및 동의어

terfenadone43076-30-84'-tert-Butyl-4-(4-(hydroxybenzhydryl)piperidino)butyrophenone1-(4-(tert-Butyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one1-(4-tert-butylphenyl)-4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butan-1-one4'-TERT-BUTYL-4-[4-(HYDROXYBENZHYDRYL)PIPERIDINO]BUTYROPHENONECHEMBL205154W5XZU6S7621-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butan-1-one1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-one (Terfenadone)EINECS 256-074-1Terfenadine EP Impurity A
이름 더 보기
4'-tert-부틸-4-[4-(히드록시벤즈히드릴)피페리디노]부티로페논Terfenadine USP Related Compound A1-(4-TERT-BUTYLPHENYL)-4-[4-(ALPHA-HYDROXYBENZHYDRYL)PIPERIDINO]BUTAN-1-ONE1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-one1-Butanone, 1-[4-(1,1-dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-
1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butan-1-one; Terfenadine Imp. A (EP); Terfenadone; Terfenadine Related Compound A; Terfenadine Impurity ATERFENADINONETerfenadine impurity A CRSUNII-W5XZU6S762MLS006010685SCHEMBL11364486DTXSID90195676MDL 9917

데이터베이스 식별자

CAS
43076-30-8
PubChem CID
39380
DTXSID
DTXSID90195676
ChEMBL
CHEMBL205154
UNII
W5XZU6S762
EC Number
256-074-1
Nikkaji
J548.119H

물성

구조 계산 물성

XLogP
6.7
극성 표면적
40.5 Ų
수소 결합 공여자 수
1
수소 결합 수용자 수
3
회전 가능 결합 수
9
무거운 원자 수
35

실험 및 물리화학적 성질

Endocrine DisruptorsPotential endocrine disrupting compound

물리화학적 성질

녹는점
175 °C · 175 °C
끓는 점
624.5 · 624.5±55.0 °C(Predicted)
밀도
1.082 · 1.082±0.06 g/cm3(Predicted)
저장 조건
2 · 2-8°C
용해도
클로로포름(약간 용해됨), 메탄올(약간 용해됨)
산도 계수 (pKa)
13.32 · 13.32±0.29(Predicted)

안전 및 규제

안전 데이터

wgk
WGK 3
스토리지 클래스
11 - Combustible Solids

화학 및 산업

응용 분야 · 1건

용도Terfenadone, is the first nonsedating antihistamine for the treatment of allergic rhinitis. It is also the derivative of Terfenadine (T114500). Terfenadine, has been also identified to be an inhibitor of human CD81-receptor HCV-E2 interaction.

상·하류 제품 정보

공급사6 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]
上海麦克林生化科技股份有限公司15221275939 15221275939 · [email protected]
艾吉析科技（上海）有限公司17721401538;17717235263 17721401538 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
陕西缔都医药化工有限公司+86-29-81139210 17389186172 · [email protected]

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