CAS 64740-68-7 1',4-Dihydroxy Midazolam (HCID 10316307)

기본 정보

CAS: 64740-68-7
표준 SMILES: OCc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=NC2O
InChIKey: OJDUJEPGFILARE-UHFFFAOYSA-N
분자식: C18H13ClFN3O2
평균 분자량: 357.8 g/mol
단동위원소 질량: 357.0680325

개요

1',4-dihydroxymidazolam is an imidazobenzodiazepine that is midazolam which is substituted by a hydroxy group at positions 2 and 4. It is the minor metabolite of the anesthetic, midazolam. It has a role as a drug metabolite. It is an imidazobenzodiazepine, an aromatic primary alcohol, an organochlorine compound and a member of monofluorobenzenes. It is functionally related to a midazolam.

이름 및 식별자

우선 이름: 1',4-Dihydroxy Midazolam
IUPAC: 8-chloro-6-(2-fluorophenyl)-1-(hydroxymethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol
현지명: 1,4-디히드록시미다졸람
영어명: 1,4-Dihydroxymidazolam
분자식: C18H13ClFN3O2
분자량: 357.77

이름 및 동의어

1',4-Dihydroxy Midazolam64740-68-71',4-dihydroxymidazolamCHEBI:145332DTXSID60438047RefChem:1051375DTXCID003888708-chloro-6-(2-fluorophenyl)-1-(hydroxymethyl)-4H-imidazo[1,5-a][1,4]benzodiazepin-4-ol8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol1,4-Dihydroxymidazolam8-Chloro-6-(2-fluorophenyl)-4-hydroxy-4H-imidazo[1,5-a][1,4]benzodiazepine-1-methanol; Ro 22-0284;Ro 22-0284

이름 더 보기

1,4-디히드록시미다졸람4H-Imidazo[1,5-a][1,4]benzodiazepine-1-methanol, 8-chloro-6-(2-fluorophenyl)-4-hydroxy-

1,4-dihydroxy midazolamalpha,4-dihydroxymidazolam1',4'-dihydroxymidazolamFD22057Ro 21-02841',4-Dihydroxy Midazolam (1.0mg/ml in Acetonitrile)

데이터베이스 식별자

CAS: 64740-68-7
PubChem CID

물성

구조 계산 물성

XLogP: 2.1
극성 표면적: 70.6 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 5
회전 가능 결합 수: 2
무거운 원자 수: 25
형식 전하: 0
복잡도: 523

물리화학적 성질

녹는점: 195 C · >195C (dec.)
끓는 점: 595.4 · 595.4±60.0 °C(Predicted)
밀도: 1.52 · 1.52±0.1 g/cm3(Predicted)
저장 조건: -20 °C · -20°C Freezer, Under Inert Atmosphere
용해도: 메탄올(약간 가열)에 용해됨
산도 계수 (pKa): 12.69 · 12.69±0.40(Predicted)
물리적 상태: 고체
색상: 흰색에서 옅은 베이지까지

화학적 성질

White to Off-White Solid

화학 및 산업

응용 분야

용도A metabolite of Midazolam (M343000).

공급사2 곳

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