N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
기본 정보
- CAS
78995-09-2- 표준 SMILES
CCC(=O)N(c1ccccc1)[C@H]1CCN(CCc2ccccc2)C[C@@H]1C.Cl- InChIKey
GQIWDGKLQJBQJU-CQERKEQDSA-N- 분자식
- C23H31ClN2O
- 평균 분자량
- 387 g/mol
- 단동위원소 질량
- 386.2124913
이름 및 식별자
- 우선 이름
- N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
- IUPAC
- N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochloride
이름 및 동의어
N-[(3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide;hydrochlorideN-((3S,4S)-3-methyl-1-(2-phenylethyl)piperidin-4-yl)-N-phenylpropanamide;hydrochlorideRefChem:822998962-201-8DTXSID4048931trans-3-methylfentanyl hydrochloride78995-09-2d,l-trans-3-Methylfentanyl.HCl3-Methylfentanyl hydrochloride, trans-Propanamide, N-[3-methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl-, monohydrochloride, trans- (9CI); MCV 4523; NIH 10457; (+/-)-trans-3-methyl Fentanyl hydrochloride; trans-N-[3-methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl-propanamide monohydrochloride; trans-3-Methylfentanyl hydrchloride(+/-)-Trans-3-methyl fentanyl hydrochlorideNCGC00247688-01
이름 더 보기
CHEMBL2360640DTXCID7028857Tox21_112838CAS-78995-09-2Q27284542d,l-trans-3-Methylfentanyl.HCl, 1mg/ml in Methanol (as free base)trans-N-[3-methyl-1-(2-phenylethyl)-4-piperidinyl]-N-phenyl-propanamide monohydrochlorideN-[(3S,4S)-3-Methyl-1-(2-phenylethyl)piperidin-4-yl]-N-phenylpropanamide--hydrogen chloride (1/1)
데이터베이스 식별자
- CAS
78995-09-2- PubChem CID
- 60196317
- DTXSID
DTXSID4048931- ChEMBL
CHEMBL2360640- UNII
- N4DGM87W6N
- EC Number
- 962-201-8
물성
구조 계산 물성
- 극성 표면적
- 23.6 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 6
- 무거운 원자 수
- 27
- 형식 전하
- 0
- 복잡도
- 426
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P264, P270, P301+P316, P321, P330, P405, 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.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 3 (100%)
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…