CAS 59468-85-8 4-Hydroxymidazolam (HCID 124449)

기본 정보

CAS: 59468-85-8
표준 SMILES: Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2O
InChIKey: ZYISITHKPKHPKG-UHFFFAOYSA-N
분자식: C18H13ClFN3O
평균 분자량: 341.8 g/mol
단동위원소 질량: 341.0731179

개요

4-hydroxymidazolam is an imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at position 4. It is the minor hydroxylated metabolite of the anesthetic, midazolam. It has a role as a drug metabolite, a human urinary metabolite and a human blood serum metabolite. It is an imidazobenzodiazepine, an organic hydroxy compound, an organochlorine compound and a member of monofluorobenzenes. It is functionally related to a midazolam.

이름 및 식별자

우선 이름: 4-Hydroxymidazolam
IUPAC: 8-chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
현지명: 4-하이드록시미다졸람
영어명: 4-HYDROXYMIDAZOLAM
분자식: C18H13ClFN3O
분자량: 341.77

이름 및 동의어

4-Hydroxymidazolam59468-85-88-chloro-6-(2-fluorophenyl)-1-methyl-4h-imidazo[1,5-a][1,4]benzodiazepin-4-ol4-OH-MdzLIW2RH792RDTXSID20974870CHEBI:1453314H-Imidazo(1,5-a)(1,4)benzodiazepin-4-ol, 8-chloro-6-(2-fluorophenyl)-1-methyl-8-CHLORO-6-(2-FLUOROPHENYL)-1-METHYL-4H-IMIDAZO(1,5-A)(1,4)BENZODIAZEPIN-4-OLRefChem:524049DTXCID409084754-Hydroxy Midazolam

이름 더 보기

4-하이드록시미다졸람4-Hydroxymidazolam solution4-Hydroxymidazolam, 1mg/ml in Acetonitrile4-Hydroxy Midazolam (100 μg/mL in methanol)8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5a][1,4]bezodiazepine8-Chloro-6-(2-fluorophenyl)-1-methyl-4H-imidazo[1,5-a][1,4]benzodiazepin-4-o4H-Imidazo[1,5-a][1,4]benzodiazepin-4-ol, 8-chloro-6-(2-fluorophenyl)-1-methyl-4-Hydroxymidazolam,8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5a][1,4]bezodiazepine4-Hydroxy MidazolamQ: What is 4-Hydroxy Midazolam Q: What is the CAS Number of 4-Hydroxy Midazolam Q: What is the storage condition of 4-Hydroxy Midazolam

물성

구조 계산 물성

XLogP: 3.4
극성 표면적: 50.4 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 4
회전 가능 결합 수: 1
무거운 원자 수: 24
형식 전하: 0
복잡도: 505

물리화학적 성질

녹는점: 186 · 186-187 °C
끓는 점: 550.6 · 550.6±60.0 °C(Predicted)
밀도: 1.44 · 1.44±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 12.69 · 12.69±0.40(Predicted)
색상: 흰색에서 황백색까지
InChI: 1S/C18H13ClFN3O/c1-10-21-9-16-18(24)22-17(12-4-2-3-5-14(12)20)13-8-11(19)6-7-15(13)23(10)16/h2-9,18,24H,1H3
InChIKey: ZYISITHKPKHPKG-UHFFFAOYSA-N
SMILES: FC(C=CC=C1)=C1C2=NC(O)C3=CN=C(C)N3C4=C2C=C(Cl)C=C4

화학적 성질

Off-White Solid

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P301+P316, P321, P330, 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. 3 (100%)

안전 데이터

wgk: 3
Hazard Classifications: Acute Tox. 3 Oral
스토리지 클래스: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects

화학 및 산업

약리 정보

Metabolism/Metabolites4-Hydroxymidazolam is a known human metabolite of midazolam.

Tissue LocationsKidney

Cellular LocationsCytoplasm

응용 분야

용도A metabolite of Midazolam (M343000).

공급사16 곳

济南百隆化学有限公司[email protected] · [email protected]

武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]

广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]

咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

广州隽唐科技有限公司020-36607679 13502246435 · [email protected]

화합물 노트

불러오는 중…

4-하이드록시미다졸람