6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one

HCID 6451972CAS 43200-81-3

기본 정보

표준 SMILES: O=C1c2nccnc2C(O)N1c1ccc(Cl)cn1
InChIKey: FUUXOEKDNNWZTR-UHFFFAOYSA-N
분자식: C11H7ClN4O2
평균 분자량: 262.65 g/mol
단동위원소 질량: 262.02575314

이름 및 식별자

우선 이름: 6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-one
IUPAC: 6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one
영어명: 6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one
분자식: C11H7ClN4O2
분자량: 262.65

이름 및 동의어

6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo(3,4-b)pyrazin-5-oneRefChem:53947143200-81-36-(5-Chloropyridin-2-yl)-7-hydroxy-6,7-dihydro-5H-pyrrolo[3,4-b]pyrazin-5-oneRP-29307EINECS 256-139-46-(5-chloropyridin-2-yl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-oneUNII-68396623QXMFCD026843216-(5-chloropyridin-2-yl)-5-hydroxy-7-oxo-5,6-dihydroprolo(3,4b)pyrazineZopiclone EP Impurity B

이름 더 보기

ZOPIIRP 29307Zopiclone imp B4-b]pyrazin-5-oneEszopiclone Imp.BZopiclonereductantZopiclone intermediateZopiclone intermediates

SCHEMBL132089768396623QXZOPICLONE IMPURITY B [EP IMPURITY]6-(5-Chloro-2-pyridyl)-6,7-dihydro-7-hydroxy-5H-pyrrolo[3,4-b]pyrazin-5-one(Zopiclone Impurity)6-(5-chloro-2-pyridinyl)-7-hydroxy-7H-pyrrolo[3,4-b]pyrazin-5-one6-(5-chloro-2-pyridyl)-7-hydroxy-6,7-dihydro-5h-pyrrolo[3,4-b]pyrazine-5-onC11H7ClN4O2Eszopiclone Impurity B

데이터베이스 식별자

CAS: 43200-81-3
PubChem CID: 6451972
DTXSID: DTXSID90866117
UNII: 68396623QX
EC Number: 256-139-4
Nikkaji: J319.918E

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 79.2 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 1
무거운 원자 수: 18
형식 전하: 0
복잡도: 343

물리화학적 성질

녹는점: 240.5 · 240.5-241.50C
끓는 점: 525.2 · 525.2±50.0 °C(Predicted)
밀도: 1.653 · 1.653±0.06 g/cm3(Predicted)
저장 조건: 2 · 2-8°C
용해도: DMSO(약간 용해됨), 메탄올(약간 용해됨)
물리적 상태: 고체
산도 계수 (pKa): 8.62 · 8.62±0.20(Predicted)
색상: 미색부터 페일 베이지까지
주요 응용: 의약품(소분자)
InChI: InChI=1S/C11H7ClN4O2/c12-6-1-2-7(15-5-6)16-10(17)8-9(11(16)18)14-4-3-13-8/h1-5,10,17H
InChIKey: FUUXOEKDNNWZTR-UHFFFAOYSA-N
SMILES: C12C(O)N(C3=NC=C(Cl)C=C3)C(=O)C1=NC=CN=2

화학적 성질

Yellow Crystalline Powder

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (27.3%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 11 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.