識別子と物理属性
| CAS No. | 218949-48-5 |
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| 分子式 | C221H366N72O67S |
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| 平均分子量 | 5,136 g/mol |
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| 単同位体質量 | 5,132.71664025 g/mol |
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| SMILES | CC/C=C/CC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)NCC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(C)C)C(N)=O)[C@@H](C)CC)C(C)C)[C@@H](C)O)[C@@H](C)CC |
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| InChIKey | QBEPNUQJQWDYKU-BMGKTWPMSA-N |
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| PubChem CID | 16137828 |
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| ChEMBL | CHEMBL1237026 |
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| DTXSID | DTXSID00583207 |
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化学・物理的性質
| XLogP | -23.3 |
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| 極性表面積 | 2,360 |
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| 水素結合供与体数 | 83 |
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| 水素結合受容体数 | 76 |
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| 回転可能結合数 | 187 |
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| 重原子数 | 361 |
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| 形式電荷 | 0 |
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| 複雑度 | 12,800 |
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| Biologics | Biologic product (Egrifta) -> FDA Purple BookBiologic product (Egrifta SV) -> FDA Purple BookBiologic product (Egrifta WR) -> FDA Purple Book |
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| 貯蔵条件 | 2-8°C Refrigerator |
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安全性と法規制
| Hepatotoxicity | In clinical trials in patients with HIV-associated lipodystrophy, tesamorelin therapy was not associated with de novo elevations in serum enzymes and, in some studies, was associated with decreases in preexisting ALT elevations, possibly mediated by improvements in nonalcoholic fatty liver. Instances of clinically apparent liver injury attributable to tesamorelin use have not been reported. |
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