기본 정보
- CAS
125-73-5- 표준 SMILES
CN1CC[C@@]23CCCC[C@@H]2[C@@H]1Cc1ccc(O)cc13- InChIKey
JAQUASYNZVUNQP-PVAVHDDUSA-N- 분자식
- C17H23NO
- 평균 분자량
- 257.37 g/mol
- 단동위원소 질량
- 257.17796436
개요
Dextrorphan is a morphinane alkaloid.
이름 및 식별자
- 우선 이름
- Dextrorphan
- IUPAC
- (1S,9S,10S)-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-4-ol
- 현지명
- 덱스트로판D-주석산염
- 영어명
- DEXTRORPHAN
- 분자식
- C17H23NO
- 분자량
- 257.38
이름 및 동의어
DEXTRORPHAN125-73-5DextrorphaneDextrorphanumd-3-Hydroxy-N-methylmorphinanDextro-DromoranRo 1-6794D-levorphanol(+)-dextrorphan04B7QNO9WSEnt-17-methylmorphinan-3-ol(+)-N-Methylmorphinan-3-ol
이름 더 보기
덱스트로판D-주석산염Dextromethorphan EP Impurity BD-morphanLevorphanol d-formd-Form of levorphanolDEXTRORPHAN D-TARTRATE
CHEBI:29133RO-1-6794DTXSID30101417817-methyl-9alpha,13alpha,14alpha-morphinan-3-olMorphinan-3-ol, 17-methyl-, (9alpha,13alpha,14alpha)-Levorphanol D-RefChem:132419DTXCID601436721
데이터베이스 식별자
- CAS
125-73-5- PubChem CID
- 5360697
- DTXSID
DTXSID301014178- ChEMBL
CHEMBL1254766- ChEBI
CHEBI:29133- UNII
- 04B7QNO9WS
- EC Number
- 204-754-3
- Nikkaji
- J5.377E
물성
구조 계산 물성
- XLogP
- 3.1
- 극성 표면적
- 23.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 2
- 회전 가능 결합 수
- 0
- 무거운 원자 수
- 19
- 형식 전하
- 0
- 복잡도
- 357
실험 및 물리화학적 성질
Drugs
DEA NFLIS-Drug Category -> Narcotics
Pharmaceuticals -> Metabolite of Dextromethorphan
LogP3.11
Human DrugsPharmaceuticals
Endocrine DisruptorsPotential endocrine disrupting compound
Collision Cross Section158.89 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
물리화학적 성질
- 녹는점
- 195 °C · ≥195 °C
- 끓는 점
- 400.62 °C · 400.62°C (rough estimate)
- 밀도
- 0.9711 · 0.9711 (rough estimate)
- 굴절률
- 1.52 · 1.5200 (estimate)
- 저장 조건
- 2 · 2-8°C
- 용해도
- 식염수: 수용성(lit.)
- 산도 계수 (pKa)
- 10.07 · 10.07±0.20(Predicted)
- 색상
- 흰색에서 황백색까지
- EPA
- -3 · Morphinan-3-ol, 17-methyl-, (9.alpha.,13.alpha.,14.alpha.)- (125-73-5)
안전 및 규제
GHS 분류
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Hazard Classes and CategoriesAcute Tox. 4 (100%)
안전 데이터
- wgk
- 3
- rtecs
- QD1832000
- risk_code
- 22
- hazard_code
- Xn
화학 및 산업
약리 정보
Metabolism/MetabolitesDextrorphan is a known human metabolite of dextromethorphan.
MeSH Pharmacological Classification
Drugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.
Tissue LocationsKidney
Cellular LocationsCytoplasm
용도 및 제조
Use ClassificationPharmaceuticals
응용 분야
용도Vasospastic therapy adjunct.
관련 반응
4건
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