Huagongshe화공사 화학 정보 인쇄 보고서 · 연구 참고용
HCID 71270364생성일: 2026년 10월 25일
2-(4-Methoxycarbonylpyrazol-1-yl)adenosine
Regadenoson Impurity 3 · 2-[4-(Methoxycarbonyl)-1H-pyrazol-1-yl]adenosine · 1H-Pyrazole-4-carboxylic acid, 1-(6-amino-9-β-D-ribofuranosyl-9H-purin-2-yl)-, methyl ester · methyl 1-(6-amino-9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-9H-purin-2-yl)-1H-pyrazole-4-carboxylate · ethyl 1-(9-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6-methoxy-9H-purin-2-yl)-1H-pyrazole-4-carboxylate
https://huagongshe.com/ko/chemical/71270364
식별자 및 물리적 특성
| CAS No. | 1423073-21-5 |
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| 분자식 | C15H17N7O6 |
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| 평균 분자량 | 391.34 g/mol |
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| SMILES | COC(=O)c1cnn(-c2nc(N)c3ncn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4O)c3n2)c1 |
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| InChIKey | ADMYVFYYALQDPK-QYVSTXNMSA-N |
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| PubChem CID | 71270364 |
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| EC No. | 937-145-2 |
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화학 및 물리적 성질
| XLogP | -0.9 |
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| 극성 표면적 | 184 |
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| 수소 결합 공여자 수 | 4 |
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| 수소 결합 수용자 수 | 11 |
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| 회전 가능 결합 수 | 5 |
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| 무거운 원자 수 | 28 |
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| 형식 전하 | 0 |
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| 복잡도 | 587 |
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| 끓는 점 | 832.2±75.0 °C(Predicted) |
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| 밀도 | 1.97±0.1 g/cm3(Predicted) |
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| pKa(산도 계수) | 13.07±0.70(Predicted) |
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안전 및 규제
| GHS 분류 | DangerH302 (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. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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