2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester
기본 정보
- CAS
154477-55-1- 표준 SMILES
COC(=O)C(C)(C)c1ccc(C(=O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
PGQMZSGBFIPEKX-UHFFFAOYSA-N- 분자식
- C33H39NO4
- 평균 분자량
- 513.7 g/mol
이름 및 식별자
- 우선 이름
- 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl ester
- IUPAC
- methyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate
- 영어명
- Methyl-4-4(4-hydroxy diphenyl-methyl)-piperidine-1-oxobutyl-2-2-dimethyl phenyl
- 분자식
- C33H39NO4
- 분자량
- 513.68
이름 및 동의어
2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic acid methyl estermethyl 2-[4-[4-[4-[hydroxy(diphenyl)methyl]piperidin-1-yl]butanoyl]phenyl]-2-methylpropanoate2-(4-(4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl)-1-oxobutyl)phenyl)-2,2-dimethylacetic acid methyl esterMethyl 2-(4-(4-(4-(hydroxy(diphenyl)methyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoateRefChem:456336EC 691-722-0691-722-0154477-55-1methyl 2-(4-(4-(4-(hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoate1-Oxo Fexofenadine Methyl EsterMethyl-4-4(4-hydroxy diphenyl-methyl)-piperidine-1-oxobutyl-2-2-dimethyl phenylMFCD08063765
이름 더 보기
Fex-10Non chain condensateNonspecific condensateFexofenadineCondensateFexofenadine Impurity 23T6NTJ A3VR DX1&1&VO1& DXQR&RIntermediate of fexofenadine hydrochlorideMethyl-4-4(4-hydroxy diphenyl-methyl)-piperidine-1-oxobutyl-...
methyl 2-(4-{4-[4-(hydroxydiphenylmethyl)piperidin-1-yl]butanoyl}phenyl)-2-methylpropanoatemethyl 4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate4-[4-(4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester4-[4-[4-(hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic acid methyl ester4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylbenzeneacetic Acid Methyl Ester; 2-[4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]phenyl]-2,2-dimethylacetic Acid Methyl Ester; Methyl 4-[4-[4-(Hydroxydiphenylmethyl)-1-piperidinyl]-1-oxobutyl]-alpha,alpha-dimethylphenylacetate;SCHEMBL2265221PGQMZSGBFIPEKX-UHFFFAOYSA-N86584LWW7F
데이터베이스 식별자
- CAS
154477-55-1- PubChem CID
- 9958101
- UNII
- 86584LWW7F
- EC Number
- 691-722-0
- Nikkaji
- J587.073I
물성
구조 계산 물성
- XLogP
- 5.7
- 극성 표면적
- 66.8 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 38
- 형식 전하
- 0
- 복잡도
- 733
물리화학적 성질
- 끓는 점
- 657.2 · 657.2±55.0 °C(Predicted)
- 밀도
- 1.131 · 1.131
- 저장 조건
- 2 · 2-8°C
- 물리적 상태
- 가루
- 산도 계수 (pKa)
- 13.32 · 13.32±0.29(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.
Danger
H302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory InformationStatus: Active Update: 30-01-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/10723
Hazard Classes and CategoriesAcute Tox. 4 (33.3%)
화학 및 산업
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