4a-Hydroxy-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 4635CAS 850-50-0

기본 정보

표준 SMILES: COc1ccc2c3c1OC1C(=O)CCC4(O)C(C2)N(C)CCC314
InChIKey: BRUQQQPBMZOVGD-UHFFFAOYSA-N
분자식: C18H21NO4
평균 분자량: 315.4 g/mol
단동위원소 질량: 315.14705815

개요

See also: Oxycodone (annotation moved to); Percocet (annotation moved to); Oxycodone Hydrochloride (annotation moved to) ... View More ...

이름 및 식별자

우선 이름: 4a-Hydroxy-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: 4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

이름 및 동의어

DTXSID40859094850-50-04a-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano(1)benzofuro(3,2-e)isoquinolin-7(7aH)-one4a-Hydroxy-9-methoxy-3-methyl-2,3,4,4a,5,6-hexahydro-1H-4,12-methano[1]benzofuro[3,2-e]isoquinolin-7(7aH)-oneRefChem:1071740DTXCID40204323OxiconeMorphinan-6-one, 4,5.alpha.-epoxy-14-hydroxy-3-methoxy-17-methyl-Tekodin (free base)4a-hydroxy-9-methoxy-3-methyl-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-oneNSC 19043Morphinan-6-one, 4,5-epoxy-14-hydroxy-3-methoxy-17-methyl-, (5.alpha.)-

이름 더 보기

Eucodal (Salt/Mix)Tecodin (Salt/Mix)Dinarkon (Salt/Mix)col-0034,5.alpha.-Epoxy-14-hydroxy-3-methoxy-17-methylmorphinan-6-oneSCHEMBL10064505BRUQQQPBMZOVGD-UHFFFAOYSA-NCGA47791

데이터베이스 식별자

CAS: 850-50-0
PubChem CID: 4635
DTXSID: DTXSID40859094
Nikkaji: J23.936D

물성

구조 계산 물성

XLogP: 1.2
극성 표면적: 59 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 23
형식 전하: 0
복잡도: 553

실험 및 물리화학적 성질

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