기본 정보
- CAS
83829-76-9- 표준 SMILES
CCC12CCN(CC3(O)CC3)C(Cc3ccc(O)cc31)C2(C)C- InChIKey
ZDXGFIXMPOUDFF-UHFFFAOYSA-N- 분자식
- C20H29NO2
- 평균 분자량
- 315.4 g/mol
- 단동위원소 질량
- 315.21982917
이름 및 식별자
- 우선 이름
- 6-Ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol
- IUPAC
- 1-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
이름 및 동의어
6-Ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl-2,6-methano-3-benzazocin-8-ol83829-76-96-Ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-2,6-methano-3-benzazocin-8-olRefChem:1073915CHEMBL35038471990-00-6(+/-)-BremazocineBREMAZOCINE(-)SCHEMBL11246286SCHEMBL29726012DTXSID50868536BDBM50013388
이름 더 보기
NS00127153L000925Q49605061-ethyl-10-[(1-hydroxycyclopropyl)methyl]-13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol2,6-Methano-3-benzazocin-8-ol,6-ethyl-1,2,3,4,5,6-hexahydro-3-((1-hydroxycyclopropyl)methyl)-11,11-dimethyl2,6-Methano-3-benzazocin-8-ol,6-ethyl-1,2,3,4,5,6-hexahydro-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-, (2R)-6-Ethyl-3-(1-hydroxy-cyclopropylmethyl)-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-benzo[d]azocin-8-ol6-Ethyl-3-[(1-hydroxycyclopropyl)methyl]-11,11-dimethyl-1,2,3,4,5,6-hexahydro-2,6-methano-3-benzazocin-8-ol
데이터베이스 식별자
- CAS
83829-76-9- PubChem CID
- 1223
- DTXSID
DTXSID50868536- ChEMBL
CHEMBL350384- Nikkaji
- J395.478A
물성
구조 계산 물성
- XLogP
- 3.9
- 극성 표면적
- 43.7 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 472
실험 및 물리화학적 성질
LogP2.05
관련 반응
0건
현재 필터 조건에 해당하는 반응 기록이 없습니다.
화합물 노트
불러오는 중…