기본 정보
- CAS
2886-65-9- 표준 SMILES
O=C1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1- InChIKey
UVCOILFBWYKHHB-UHFFFAOYSA-N- 분자식
- C15H10ClFN2O
- 평균 분자량
- 288.7 g/mol
- 단동위원소 질량
- 288.0465688
개요
Desalkylflurazepam is a benzodiazepine.
이름 및 식별자
- 우선 이름
- Desalkylflurazepam
- IUPAC
- 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
- 영어명
- N-desalkylflurazepam
- 분자식
- C15H10ClFN2O
- 분자량
- 288.7
이름 및 동의어
2886-65-9NorfludiazepamDescarbethoxyloflazepateDTXSID30183057RefChem:1083168DTXCID40105548Norflutoprazepamnorflurazepam7-Chloro-5-(2-fluorophenyl)-1H-benzo[e][1,4]diazepin-2(3H)-one7-chloro-5-(2-fluorophenyl)-1,3-dihydro-1,4-benzodiazepin-2-one2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-Ro 5-3367
이름 더 보기
DESALKYLFLURAZEPAMN-desallkylflurazepamFlurazepaM Related CoMpound Fcm7116ro5-3367sch17514MMK1 TFA
CM 71167-Chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-oneSch 17514nor-FlurazepamMidazolam EP Impurity FCHEMBL974Norfludiazepam; NorflurazepamX9U41NXR6M
데이터베이스 식별자
- CAS
2886-65-9- PubChem CID
- 4540
- DTXSID
DTXSID30183057- ChEMBL
CHEMBL1201372、CHEMBL974- ChEBI
물성
구조 계산 물성
- XLogP
- 2.7
- 극성 표면적
- 41.5 Ų
- 수소 결합 공여자 수
- 1
- 수소 결합 수용자 수
- 3
- 회전 가능 결합 수
- 1
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 415
실험 및 물리화학적 성질
DrugsDEA NFLIS-Drug Category -> Benzodiazepines
LogP2.7
물리화학적 성질
- 녹는점
- 204 · 204-206°C
- 끓는 점
- 454 · 454.0±45.0 °C(Predicted)
- 밀도
- 1.39 · 1.39±0.1 g/cm3(Predicted)
- 인화점
- 9 ℃ · 9℃
- 저장 조건
- Sealed in dry,Room Temperature
- 용해도
- 클로로포름(약간 용해됨), 메탄올(약간 용해됨)
- 물리적 상태
- A neat solid
- 산도 계수 (pKa)
- 11.55 · 11.55±0.70(Predicted)
- 색상
- White to off-white
- 주요 응용
- 제약
- InChI
- InChI=1S/C15H10ClFN2O/c16-9-5-6-13-11(7-9)15(18-8-14(20)19-13)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,19,20)
- InChIKey
- UVCOILFBWYKHHB-UHFFFAOYSA-N
- SMILES
- N1C2=CC=C(Cl)C=C2C(C2=CC=CC=C2F)=NCC1=O
- NIST
- Norfludiazepam(2886-65-9)
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
This chemical does not meet GHS hazard criteria for 50% (3 of 6) of reports.
Warning
H302 (16.7%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 6 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
유해성 정보
Regulatory Information
REACH registered substance: 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one (EC: 220-748-3)
2H-1,4-Benzodiazepin-2-one, 7-chloro-5-(2-fluorophenyl)-1,3-dihydro-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesSkin Irrit. 2 (16.7%)
안전 데이터
- wgk
- 2
- rtecs
- DF2370100
- ridadr
- UN1230 - class 3 - PG 2 - Methanol, solution
- HS 번호
- 2933997500
- risk_code
- 11-23/24/25-39/23/24/25
- hazard_code
- F,T
- safety_code
- 22-24/25-45-36/37-16-7
- Hazard Classifications
- STOT SE 3
- 스토리지 클래스
- 13 - Non Combustible Solids
화학 및 산업
약리 정보
Metabolism/MetabolitesN-Desalkyl-2-oxoquazepam is a known human metabolite of 2-oxoquazepam.
Tissue LocationsKidney
Cellular LocationsCytoplasm
응용 분야
개요Desalkylflurazepam (Item No. 18484) is an analytical reference material that is structurally categorized as a benzodiazepine. It is an active metabolite of several benzodiazepines, including flurazepam , flutoprazepam, fludiazepam, midazolam, and quazepam. Desalkylflurazepam inhibits L-type voltage-gated calcium channels (Cav; IC50s = 55 and 37 μM for Cav1.2 and 1.3, respectively) by positively modulating GABAA receptors. It can be detected in urine, serum, and meconium by LC-MS/MS. This product is intended for research and forensic applications.
용도The major human metabolite of flurazepam. This is a controlled drug precursor therefore a liscence may be required for purchase
일반 설명N-Desalkylflurazepam (also known as norflurazepam, 2886-65-9) is a benzodiazepine analog and an active metabolite of several other benzodiazepine drugs including flurazepam, flutoprazepam, fludiazepam, midazolam, flutazolam, quazepam, and ethyl loflazepate. It is long-acting, prone to accumulation, and binds unselectively to the various benzodiazepine receptor subtypes. It has been sold as a designer drug from 2016 onward.
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