기본 정보
- CAS
34084-50-9- 표준 SMILES
CN1C(=O)CN=C(c2ccccc2F)c2cc(N)ccc21- InChIKey
LTCDLGUFORGHGY-UHFFFAOYSA-N- 분자식
- C16H14FN3O
- 평균 분자량
- 283.3 g/mol
- 단동위원소 질량
- 283.11209024
개요
7-Aminoflunitrazepam is a benzodiazepine.
이름 및 식별자
- 우선 이름
- 7-Aminoflunitrazepam
- IUPAC
- 7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one
- 영어명
- 7-AMINOFLUNITRAZEPAM
- 분자식
- C16H14FN3O
- 분자량
- 283.3
이름 및 동의어
7-Aminoflunitrazepam34084-50-97-Amino-flunitrazepamRo 20-18157T03QW0G7CRo-20-1815J867.437JDTXSID401876822H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-7-amino-5-(2-fluorophenyl)-1-methyl-2,3-dihydro-1H-1,4-benzodiazepin-2-oneRO 20-181RO-20-181
이름 더 보기
7-Aminoflunitrazepam (CRM)7-Aminoflunitrazepam solution7-Aminoflunitrazepam Solution, 100ppmDiclofop Impurity 1 (Diclofop-methyl)7-AMINOFLUNITRAZEPAM,100/MLINACETONITRILE7-AMINOFLUNITRAZEPAM,1.0MG/MLINACETONITRILE7-AMINOFLUNITRAZEPAM (1.0MG/ML ACETONITRILE)7-Aminoflunitrazepam, 1mg/ml in Acetonitrile
RefChem:545418DTXCID001101737-Amino Flunitrazepam7-amino-5-(2-fluorophenyl)-1-methyl-3H-1,4-benzodiazepin-2-one7-amino-5-(2-fluorophenyl)-1-methyl-1,3-dihydro-2h-1,4-benzodiazepin-2-oneCHEMBL151121UNII-7T03QW0G7C7-Amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one; 7-Amino-5-(o-fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one; 7-Amino-1,3-dihydro-5-(2-fluorophenyl)-1-methyl-2H-1,4-benzodiazpin-2-one; 7-Amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-2H-1,4-benzodiazepin-2-one; 7-Aminoflunitrazepam; Ro 20-1815
물성
구조 계산 물성
- XLogP
- 1.3
- 극성 표면적
- 58.7 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 21
- 형식 전하
- 0
- 복잡도
- 439
실험 및 물리화학적 성질
Drugs
Pharmaceuticals -> Benzodiazepines
Pharmaceuticals -> Synthetic Cannabinoids or Psychoactive Compounds
LogP1.3
Collision Cross Section163.1 Ų [M+H]+ [CCS Type: TW; Method: Major Mix IMS/Tof Calibration Kit (Waters)]
물리화학적 성질
- 녹는점
- 203 · 203-205 °C
- 끓는 점
- 540.3 · 540.3±50.0 °C(Predicted)
- 밀도
- 1.31 · 1.31±0.1 g/cm3(Predicted)
- 인화점
- 2 ℃ · 2℃
- 저장 조건
- -20 °C · -20°C
- 산도 계수 (pKa)
- 4.06 · 4.06±0.20(Predicted)
- 물리적 상태
- A neat solid
- 주요 응용
- 임상 시험
- InChI
- 1S/C16H14FN3O/c1-20-14-7-6-10(18)8-12(14)16(19-9-15(20)21)11-4-2-3-5-13(11)17/h2-8H,9,18H2,1H3
- InChIKey
- LTCDLGUFORGHGY-UHFFFAOYSA-N
- SMILES
- FC1=CC=CC=C1C2=NCC(N(C)C3=CC=C(N)C=C23)=O
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]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
유해성 정보
Regulatory Information2H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-fluorophenyl)-1,3-dihydro-1-methyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesAcute Tox. 4 (100%)
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
용도 및 제조
Use ClassificationPharmaceuticals -> Transformation products
응용 분야
용도A metabolite of Flunitrazepam (F500700).
공급사4 곳
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
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