3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid

HCID 3280818CAS 43200-83-5

기본 정보

표준 SMILES: O=C(O)c1nccnc1C(=O)Nc1ccc(Cl)cn1
InChIKey: IFJKAXKRMIJQHS-UHFFFAOYSA-N
분자식: C11H7ClN4O3
평균 분자량: 278.65 g/mol
단동위원소 질량: 278.02066776

이름 및 식별자

우선 이름: 3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid
IUPAC: 3-[(5-chloro-2-pyridinyl)carbamoyl]pyrazine-2-carboxylic acid
영어명: 3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid(WXG01564)
분자식: C11H7ClN4O3
분자량: 278.65

이름 및 동의어

43200-83-53-((5-Chloropyridin-2-yl)carbamoyl)pyrazine-2-carboxylic acid3-[(5-chloropyridin-2-yl)carbamoyl]pyrazine-2-carboxylic acidDTXSID7010362733-(5-CHLOROPYRID-2-YL)CARBAMOYLPYRAZINE-2-CARBOXYLIC ACIDRefChem:493737DTXCID201520479641-899-5Zopiclone Impurity 63-[[(5-chloro-2-pyridinyl)amino]carbonyl]-2-Pyrazinecarboxylic acid3-(5-Chloropyridine-2-carbamoyl)-2-pyrazinecarboxylic Acid3-{[(5-chloro-2-pyridinyl)amino]carbonyl}-2-pyrazinecarboxylic acid

이름 더 보기

3-(2-chloropyridin-4-ylcarbamoyl)pyrazine-2-carboxylic acid3-(5-Chloropyrid-2-yl)carbamoylpyrazine-2-carboxylic acid(WXG01564)2-Pyrazinecarboxylic acid, 3-[[(5-chloro-2-pyridinyl)amino]carbonyl]-

3-{[(5-chloropyridin-2-yl)amino]carbonyl}pyrazine-2-carboxylic acidIFJKAXKRMIJQHS-UHFFFAOYSA-NEszopiclone Impurity 7Oprea1_517609AR-438/40097304MLS001199270QY9K572DV3SCHEMBL3001084

데이터베이스 식별자

CAS: 43200-83-5
PubChem CID: 3280818
DTXSID: DTXSID701036273
ChEMBL: CHEMBL1471692
UNII: QY9K572DV3
EC Number: 641-899-5

물성

구조 계산 물성

XLogP: 0.7
극성 표면적: 105 Å²
수소 결합 공여자 수: 2
수소 결합 수용자 수: 6
회전 가능 결합 수: 3
무거운 원자 수: 19
형식 전하: 0
복잡도: 355

실험 및 물리화학적 성질

Solubility41.5 [ug/mL] (The mean of the results at pH 7.4)

물리화학적 성질

녹는점: 206 · 206-208 °C
끓는 점: 428.5 · 428.5±45.0 °C(Predicted)
밀도: 1.615 · 1.615±0.06 g/cm3(Predicted)
산도 계수 (pKa): 2.24 · 2.24±0.36(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Warning

H302 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

유해성 정보

Regulatory InformationStatus: Active Update: 01-03-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/22315

Hazard Classes and CategoriesAcute Tox. 4 (100%)

안전 데이터

신호 어: Warning
유해·위험 문구: 암호 유해·위험 문구 위험 등급 범주 신호 어 그림 문자 P- 코드 H302

화학 및 산업

응용 분야 · 1건

용도3-[[(5-Chloro-2-pyridinyl)amino]carbonyl]-2-pyrazinecarboxylic acid is an impurity of Zopiclone (Z700500, a cyclopyrrolone member of a family of non-benzodiazepine GABAA receptor agonists. This is a controlled substance (depressant) in the US but not in Canada. Sedative, hypnotic.

상·하류 제품 정보

하류 제품

Zopiclone

공급사21 곳

艾吉析科技（上海）有限公司17717235263 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

孟成科技（上海）有限公司400-820-6829 · [email protected]

上海泰坦科技股份有限公司400-6009262 15618770481 · [email protected]

深圳振强药物研发有限公司0755-66853366 13670046396 · [email protected]

연결된 노트

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