기본 정보
- CAS
2984471-08-9- 표준 SMILES
O[C@@](CCN1CCCCC1)(c1ccccc1)[C@@H]1C[C@H]2C=C[C@@H]1C2- InChIKey
YSXKPIUOCJLQIE-ZSXPUABSSA-N- 분자식
- C21H29NO
- 평균 분자량
- 311.5 g/mol
- 단동위원소 질량
- 311.22491455
이름 및 식별자
- 우선 이름
- Biperiden EP Impurity B
- IUPAC
- (1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]-1-phenyl-3-piperidin-1-ylpropan-1-ol
이름 및 동의어
Biperiden EP Impurity BCAS-1235-82-1B4KL6AO581CHEMBL1407769NCGC00016573-01(+/-)-BIPERIDEN HYDROCHLORIDE IMPURITY BBIPERIDEN HYDROCHLORIDE IMPURITY B [EP IMPURITY](1RS)-1-((1SR,2RS(.BETA. HYDROGEN),4SR)-BICYCLO(2.2.1)HEPT-5-EN-2-YL)-1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-OL, ENDO FORM-(1RS)-1-((1SR,2RS,4SR)-BICYCLO(2.2.1)HEPT-5-EN-2-YL)-1-PHENYL-3-(PIPERIDIN-1-YL)PROPAN-1-OL, ENDO FORM-, .BETA. HYDROGEN-(1RS)-1-[(1SR,2RS,4SR)-bicyclo[2.2.1]hept-5-en-2-yl]-1phenyl-3-(piperidin-1-yl)propan-1-ol; (R)-1-((1S,2R,4S)-bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol--(S)-1-((1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piperidin-1-yl)propan-1-ol (1/1)(alphaS)-rel-alpha-(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol1-Piperidinepropanol, alpha-(1R,2S,4R)-bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-, (alphaS)-rel-
이름 더 보기
2984471-08-9alpha-(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol, rel-(alphaS)-rel-(alphaS)-alpha-(1R,2S,4R)-Bicyclo[2.2.1]hept-5-en-2-yl-alpha-phenyl-1-piperidinepropanol
데이터베이스 식별자
- CAS
2984471-08-9- PubChem CID
- 11220655
- ChEMBL
CHEMBL1407769- UNII
- B4KL6AO581
물성
구조 계산 물성
- XLogP
- 4.3
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 5
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 422
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