識別子と物理属性
| CAS No. | 2538-83-2 |
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| 分子式 | C34H28N6O14S4 |
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| 平均分子量 | 872.9 g/mol |
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| 単同位体質量 | 872.05463358 g/mol |
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| SMILES | Cc1cc(-c2ccc(N=Nc3c(S(=O)(=O)O)cc4cc(S(=O)(=O)O)cc(N)c4c3O)c(C)c2)ccc1N=Nc1c(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc(N)c2c1O |
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| InChIKey | ZBNARPCCDMHDDV-UHFFFAOYSA-N |
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| PubChem CID | 6297 |
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| ChEMBL | CHEMBL1089641 |
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| ChEBI | CHEBI:78900 |
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| EC No. | 200-786-7 |
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| DTXSID | DTXSID8048313 |
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化学・物理的性質
| XLogP | 4.4 |
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| 極性表面積 | 393 |
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| 水素結合供与体数 | 8 |
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| 水素結合受容体数 | 20 |
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| 回転可能結合数 | 9 |
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| 重原子数 | 58 |
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| 形式電荷 | 0 |
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| 複雑度 | 1,840 |
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| 物質分類 | Carcinogens |
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| 医薬品 | Pharmaceuticals -> Listed in ZINC15 |
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安全性と法規制
| GHS 分類 | DangerH350 (99%): May cause cancer [Danger Carcinogenicity]P203, P280, P318, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 198 reports by companies from 11 notifications to the ECHA C&L Inventory.WarningH351: Suspected of causing cancer [Warning Carcinogenicity] |
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| 規制情報 | Chemical: 2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium saltC.I. Direct Blue 14: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
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| その他の安全情報 | IMAP assessments - 2,7-Naphthalenedisulfonic acid, 3,3'-[(3,3'-dimethyl[1,1'-biphenyl]-4,4'-diyl)bis(azo)]bis[5-amino-4-hydroxy-, tetrasodium salt: Environment tier I assessment |
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| Hazard Classes and Categories | Carc. 1B (99%)Carcinogenicity - category 1BCarcinogenicity - Category 2Carcinogens |
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