기본 정보
- CAS
561-25-1- 표준 SMILES
COC1=CC[C@H]2[C@H]3Cc4ccc(OC)c5c4[C@@]2(CCN3C)[C@H]1O5- InChIKey
XJZOLKDBHJPTAT-ATNYCFDYSA-N- 분자식
- C19H23NO3
- 평균 분자량
- 313.4 g/mol
- 단동위원소 질량
- 313.1677936
이름 및 식별자
- 우선 이름
- Dihydrothebaine
- IUPAC
- (4R,4aR,7aR,12bS)-7,9-dimethoxy-3-methyl-2,4,4a,5,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinoline
이름 및 동의어
Dihydrothebaine8,14-DihydrothebaineThebaine, dihydro-delta(sup 6)-DihydrothebaineUNII-3F3XDX43POEINECS 209-216-13F3XDX43PODIHYDROTHEBAINE [MI].DELTA.6-DIHYDROTHEBAINEDTXSID40204641(5alpha)-6,7-Didehydro-4,5-epoxy-3,6-dimethoxy-17-methylmorphinanTHEBAINE, 8,14-DIHYDRO-
이름 더 보기
4,5alpha-Epoxy-3,6-dimethoxy-17-methyl-6-morphinen(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinenMorphinan, 6,7-didehydro-4,5-alpha-epoxy-3,6-dimethoxy-17-methyl-(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen [IUPAC]HYDROCODONE HYDROGEN TARTRATE 2.5-HYDRATE IMPURITY J [EP IMPURITY]MORPHINAN, 6,7-DIDEHYDRO-4,5.ALPHA.-EPOXY-3,6-DIMETHOXY-17-METHYL-MORPHINAN, 6,7-DIDEHYDRO-4,5-EPOXY-3,6-DIMETHOXY-17-METHYL-, (5.ALPHA.)-(5R,9R,13S,14R)-4,5-Epoxy-3,6-dimethoxy-N-methyl-6-morphinen (IUPAC)
데이터베이스 식별자
- CAS
561-25-1- PubChem CID
- 5486617
- DTXSID
DTXSID40204641- UNII
- 3F3XDX43PO
- EC Number
- 209-216-1
- Nikkaji
- J6.493I
물성
구조 계산 물성
- XLogP
- 2.6
- 극성 표면적
- 30.9 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 2
- 무거운 원자 수
- 23
- 형식 전하
- 0
- 복잡도
- 535
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Narcotics
관련 반응
12건
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