(1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-ol
기본 정보
- CAS
1632048-95-3- 표준 SMILES
CC(C)(C)c1ccc(C(O)CCCN2CCC(C(c3ccccc3)c3ccccc3)CC2)cc1- InChIKey
JKSNSYGKAXLLAM-UHFFFAOYSA-N- 분자식
- C32H41NO
- 평균 분자량
- 455.7 g/mol
- 단동위원소 질량
- 455.31881493
이름 및 식별자
- 우선 이름
- (1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-ol
- IUPAC
- 4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-ol
- 영어명
- Dehydroxy Terfenadine
- 분자식
- C32H41NO
- 분자량
- 455.67404
이름 및 동의어
1632048-95-3D2B4FT6BXGTerfenadine impurity B [EP](1RS)-1-(4-(1,1-Dimethylethyl)phenyl)-4-(4-(diphenylmethyl)piperidin-1-yl)butan-1-olTERFENADINE IMPURITY B [EP IMPURITY]1-Piperidinebutanol, alpha-(4-(1,1-dimethylethyl)phenyl)-4-(diphenylmethyl)-alpha-(4-(1,1-Dimethylethyl)phenyl)-4-(diphenylmethyl)-1-piperidinebutanol.ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(DIPHENYLMETHYL)-1-PIPERIDINEBUTANOL1-PIPERIDINEBUTANOL, .ALPHA.-(4-(1,1-DIMETHYLETHYL)PHENYL)-4-(DIPHENYLMETHYL)-TERFENADINE IMPURITY B (EP IMPURITY)(1RS)-1-[4-(1,1-Dimethylethyl)phenyl]-4-[4-(diphenylmethyl)piperidin-1-yl]butan-1-olTerfenadine impurity B
이름 더 보기
1-Piperidinebutanol, α-[4-(1,1-dimethylethyl)phenyl]-4-(diphenylmethyl)-
RefChem:68381935-367-4Dehydroxy TerfenadineUNII-D2B4FT6BXG4-(4-benzhydrylpiperidin-1-yl)-1-(4-tert-butylphenyl)butan-1-olDehydroxyTerfenadineTerfenadine EP Impurity BCHEMBL3344287
데이터베이스 식별자
- CAS
1632048-95-3- PubChem CID
- 59872275
- ChEMBL
CHEMBL3344287- UNII
- D2B4FT6BXG
- EC Number
- 935-367-4
물성
구조 계산 물성
- XLogP
- 7.6
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 9
- 무거운 원자 수
- 34
- 형식 전하
- 0
- 복잡도
- 536
물리화학적 성질
- 끓는 점
- 591.7 · 591.7±50.0 °C(Predicted)
- 밀도
- 1.045 · 1.045±0.06 g/cm3(Predicted)
- 산도 계수 (pKa)
- 14.51 · 14.51±0.20(Predicted)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
화학 및 산업
응용 분야
용도Dehydroxy Terfenadine, is the derivative of Terfenadine (T114500), which is a nonsedating-type histamine H1-receptor antagonist. It is also an antihistaminic.
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