기본 정보
- CAS
68254-48-8- 표준 SMILES
CN1CC[C@]23c4c5ccc(O)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5=O- InChIKey
HNJBQZPKNKFLFM-CBEJNMEVSA-N- 분자식
- C17H17NO4
- 평균 분자량
- 299.32 g/mol
- 단동위원소 질량
- 299.11575802
개요
decomposition product of morphine; structure given in first source; RN given refers to (5alpha,6alpha)-isomer
이름 및 식별자
- 우선 이름
- 10-Oxomorphine
- IUPAC
- (4S,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
- 현지명
- 10-옥소모르핀
- 영어명
- 10-Oxo Morphine
- 분자식
- C17H17NO4
- 분자량
- 299.32
이름 및 동의어
10-Oxomorphine68254-48-8A595AZE7AX10-KETOMORPHINEMorphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5alpha,6alpha)-RefChem:7762710-Oxo Morphine10-Oxo Morphine (100?g/ml in Methanol)10-Oxo Morphine (1mg/ml in Acetonitrile)oxomorphine10-Oxomorphine; Morphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5a,6a)-; 10-KetomorphineUNII-A595AZE7AX
이름 더 보기
10-옥소모르핀10-Oxomorphine solution10-Oxomorphine (10-Ketomorphine)10-Oxo Morphine (100μg/ml in Methanol)(5a,6a)-7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-on(5a,6a)-7,8-Didehydro-4,5-epoxy-3,6-dihydroxy-17-methylmorphinan-10-oneMorphinan-10-one, 7,8-didehydro-4,5-epoxy-3,6-dihydroxy-17-methyl-, (5α,6α)-
SCHEMBL427945SCHEMBL30238720DTXSID3098777410-Oxo Morphine (1 mg/ml in Acetonitrile)10-Oxo Morphine (100 ?g/ml in Methanol)3,6-Dihydroxy-17-methyl-7,8-didehydro-4,5-epoxymorphinan-10-one3,6alpha-Dihydroxy-17-methyl-5alpha-7,8-didehydro-4,5-epoxymorphinan-10-one(4S,4aR,7S,7aR,12bS)-7,9-dihydroxy-3-methyl-1,2,4,4a,7,7a-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-13-one
물성
구조 계산 물성
- XLogP
- 1.1
- 극성 표면적
- 70 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 5
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 22
- 형식 전하
- 0
- 복잡도
- 563
물리화학적 성질
- 끓는 점
- 557 · 557.0±50.0 °C(Predicted)
- 밀도
- 1.53 · 1.53±0.1 g/cm3(Predicted)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 7.25 · 7.25±0.40(Predicted)
- 물리적 상태
- liquid
- 주요 응용
- 법의학 및 독성학
- InChI
- 1S/C17H17NO4/c1-18-7-6-17-9-3-5-11(20)16(17)22-15-10(19)4-2-8(12(15)17)14(21)13(9)18/h2-5,9,11,13,16,19-20H,6-7H2,1H3/t9-,11-,13-,16-,17-/m0/s1
- InChIKey
- HNJBQZPKNKFLFM-CBEJNMEVSA-N
- SMILES
- CN1CC[C@]23[C@H]4Oc5c(O)ccc(C(=O)[C@@H]1[C@@H]2C=C[C@@H]4O)c35
화학적 성질
Brown Solid
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P271, P301+P317, P304+P340, P319, P330, P403+P233, 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. 4 (100%)
안전 데이터
- wgk
- 2
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 7-16-36/37-45
- Hazard Classifications
- Acute Tox. 3 DermalAcute Tox. 3 InhalationAcute Tox. 3 OralFlam. Liq. 2STOT SE 1
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도10-Oxo Morphine is a decomposition product of Morphine (M652290). Morphine impurity. Controlled substance.
일반 설명A certified solution standard of the decomposition product measured in manufactured morphine sulfate drug products or APIs using LC or LC/MS.
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