2-(4-Methoxycarbonylpyrazol-1-yl)adenosine

HCID 71270364

노트 반응

부분 구조 검색 유사 구조 찾기

기본 정보

CAS: 1423073-21-5
표준 SMILES: COC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1
InChIKey: ADMYVFYYALQDPK-QYVSTXNMSA-N
분자식: C15H17N7O6
평균 분자량: 391.34 g/mol

이름 및 식별자

우선 이름: 2-(4-Methoxycarbonylpyrazol-1-yl)adenosine
IUPAC: methyl 1-[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-2-yl]pyrazole-4-carboxylate
영어명: Regadenoson Impurity 3
분자식: C15H17N7O6
분자량: 391.34

이름 및 동의어

2-(4-methoxycarbonylpyrazol-1-yl)adenosineRefChem:457906937-145-2Regadenoson Impurity 31423073-21-5methyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylateCJ6K5C4JMBSCHEMBL14719373ADMYVFYYALQDPK-QYVSTXNMSA-N2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosineMethyl 1-(6-amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-1H-pyrazole-4-carboxylate1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-beta-D-ribofuranosyl-9H-purin-2-yl)-, methyl ester

이름 더 보기

1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-, methyl esterethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methoxy-9H-purin-2-yl)-1H-pyrazole-4-carboxylate

데이터베이스 식별자

CAS: 1423073-21-5
PubChem CID: 71270364
UNII: CJ6K5C4JMB
EC Number: 937-145-2

물성

구조 계산 물성

XLogP: -0.9
극성 표면적: 184 Å²
수소 결합 공여자 수: 4
수소 결합 수용자 수: 11
회전 가능 결합 수: 5
무거운 원자 수: 28
형식 전하: 0
복잡도: 587

물리화학적 성질

끓는 점: 832.2 · 832.2±75.0 °C(Predicted)
밀도: 1.97 · 1.97±0.1 g/cm3(Predicted)
산도 계수 (pKa): 13.07 · 13.07±0.70(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 4건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P308+P316, P317, P321, P330, P332+P317, P337+P317, P362+P364, 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. 4 (100%)

화학 및 산업

상·하류 제품 정보

상류 원료

2-Propenoic acid, 2-(diethoxymethyl)-3-hydroxy-, methyl ester, sodium salt (1:1)2-히드라지노아데노신

공급사16 곳

广州佳途科技股份有限公司81960175 18933936954 · [email protected]

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

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

希瓦生物科技（广州）有限公司13268215580 · [email protected]

湖北扬信医药科技有限公司15347293736 · [email protected]

화합물 노트

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