9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one

HCID 411697CAS 1082738-67-7

기본 정보

표준 SMILES: COc1ccc2c3c1OC1C(=O)CCC4C(C2)N(C)CCC314
InChIKey: LLPOLZWFYMWNKH-UHFFFAOYSA-N
분자식: C18H21NO3
평균 분자량: 299.4 g/mol
단동위원소 질량: 299.15214353

개요

4Ah-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl- is a morphinane alkaloid.

이름 및 식별자

우선 이름: 9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one
IUPAC: 9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

이름 및 동의어

DTXSID408592361082738-67-79-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one9-Methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7(7aH)-oneRefChem:1075006DTXCID301972304aH-8,9c-Iminoethanophenanthro(4,5-bcd)furan-5-(6H)-one, 7,7a,8,9-tetrahydro-3-methoxy-12-methyl-DicodidMorphinan-6-one, 4,5.alpha.-epoxy-3-methoxy-17-methyl-Morphinan-6-one, 4,5-epoxy-3-methoxy-17-methyl-, (5.alpha.)-NSC 19044(+)-dihydroco-deinone

이름 더 보기

4,5.alpha.-Epoxy-3-methoxy-17-methylmorphinan-6-one6-Oxo-7,8-dihydrocodeineSCHEMBL9890036CHEBI:181668LLPOLZWFYMWNKH-UHFFFAOYSA-N3-Methoxy-17-methyl-4,5-epoxymorphinan-6-oneL0010249-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

데이터베이스 식별자

CAS: 1082738-67-7
PubChem CID: 411697
DTXSID: DTXSID40859236
ChEBI: CHEBI:181668

물성

구조 계산 물성

XLogP: 2.2
극성 표면적: 38.8 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 22
형식 전하: 0
복잡도: 509

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