기본 정보
- CAS
111295-09-1- 표준 SMILES
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4c3C(O)(C[C@H]2N(C)C1)C(=O)N4- InChIKey
YSZSHHCNLVHCNV-VRORWYBRSA-N- 분자식
- C20H25N3O3
- 평균 분자량
- 355.4 g/mol
- 단동위원소 질량
- 355.18959167
개요
a metabolite of LSD
이름 및 식별자
- 우선 이름
- 2-Oxo-3-hydroxy-lysergide
- IUPAC
- (6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
- 현지명
- 2-옥소-3-하이드록시-LSD(2-Oxo-3-하이드록시-리세르그산디에틸아미드)
- 영어명
- 2-Oxo-3-hydroxy-LSD (2-Oxo-3-hydroxy-lysergic acid diethylamide)
- 분자식
- C20H25N3O3
- 분자량
- 355.4308
이름 및 동의어
2-Oxo-3-hydroxy-lysergide2-Oxo-3-hydroxy-LSD111295-09-12-Oxo-3-hydroxy Lysergic Acid DiethylamideKU55DR6345Lysergamide, N,N-diethyl-2,3-dihydro-3-hydroxy-2-oxo-DTXSID004362442-oxo-3-hydroxylysergic acid diethylamide(8beta)-9,10-Didehydro-N,N-diethyl-2,3-dihydro-3-hydroxy-6-methyl-2-oxoergoline-8-carboxamideErgoline-8-carboxamide, 9,10-didehydro-N,N-diethyl-2,3-dihydro-3-hydroxy-6-methyl-2-oxo-, (8beta)-RefChem:1979142-oxo-3-OH-LSD
이름 더 보기
2-옥소-3-하이드록시-LSD(2-Oxo-3-하이드록시-리세르그산디에틸아미드)2,3-Dihydro-3-hydroxy-2-oxo Lysergide2-Oxo-3-hydroxy-LSD solution2-Oxo-3-hydroxy-LSD, 1mg/ml in Acetonitrile2-Oxo-3-hydroxy-LSD, 0.1mg/ml in AcetonitrileN,N-Diethyl-2,3-dihydro-3-hydroxy-2-oxo-lysergaMide2-Oxo-3-hydroxy-lysergic acid diethylamide solution2-Oxo-3-hydroxy-LSD (2-Oxo-3-hydroxy-lysergic acid diethylamide)2,3-Dihydro-3-hydroxy-2-oxo Lysergide (100 μg/mL in Acetonitrile)
DTXCID40387069UNII-KU55DR6345(6aR,9R)-N,N-diethyl-5a-hydroxy-7-methyl-5-oxo-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide2,3-Dihydro-3-hydroxy-2-oxo Lysergide (100 mug/mL in Acetonitrile)2,3-Dihydro-3-hydroxy-2-oxo Lysergide (~90%)2-Oxo-3-hydroxy-LSD; 2,3-Dihydro-3-hydroxy-2-oxo Lysergide2,3-Dihydro-3-hydroxy-2-oxo Lysergide (100 ?g/mL in Acetonitrile)SCHEMBL4456837
데이터베이스 식별자
- CAS
111295-09-1- PubChem CID
- 10155149
- DTXSID
DTXSID00436244- UNII
- KU55DR6345
- Nikkaji
- J1.084.747H
물성
구조 계산 물성
- XLogP
- 0.3
- 극성 표면적
- 72.9 Ų
- 수소 결합 공여자 수
- 2
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 3
- 무거운 원자 수
- 26
- 형식 전하
- 0
- 복잡도
- 644
실험 및 물리화학적 성질
DrugsPharmaceuticals -> Illicit drugs
물리화학적 성질
- 인화점
- 2 ℃ · 2℃
- 저장 조건
- -20 °C · -20°C
- 용해도
- 아세토니트릴에 용해됨
- 물리적 상태
- Pale Yellow to Light Yellow Solution
- 주요 응용
- 법의학 및 독성학
- InChI
- 1S/C20H25N3O3/c1-4-23(5-2)18(24)12-9-14-13-7-6-8-15-17(13)20(26,19(25)21-15)10-16(14)22(3)11-12/h6-9,12,16,26H,4-5,10-11H2,1-3H3,(H,21,25)/t12-,16-,20/m1/s1
- InChIKey
- YSZSHHCNLVHCNV-VRORWYBRSA-N
- SMILES
- CCN(CC)C(=O)[C@H]1CN(C)[C@@H]2CC3(O)C(=O)Nc4cccc(C2=C1)c34
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
안전 데이터
- wgk
- 2
- ridadr
- UN 1648 3 / PGII
- risk_code
- 11-20/21/22-36
- hazard_code
- F,Xn
- safety_code
- 16-36/37
- Hazard Classifications
- Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Flam. Liq. 2
- 스토리지 클래스
- 3 - Flammable liquids
화학 및 산업
응용 분야
용도2,3-Dihydro-3-hydroxy-2-oxo Lysergide is a major metabolite of Lysergide (L488010). Controlled Substance.
일반 설명2-Oxo-3-hydroxy-LSD is a major urinary metabolite of lysergic acid diethyl amide, or LSD. This certified solution standard is suitable for use in LC/MS or GC/MS applications for clinical toxicology, forensic analysis, or urine drug testing. Known for its role in 1960′s American counterculture, LSD is one of the most potent psychedelic drugs ever created.
공급사7 곳
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