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UFP-101 trifluoroacetate salt
结构式
基本信息
| Empirical Formula【经验(实验)分子式】 | C82H138N32O21 · xC2HF3O2 |
| Molecular weight | 1908.17 (free base basis) |
| MDL number | MFCD18910853 |
| PubChem Substance ID【PubChem化学物质编号】 | 329827635 |
| Biochem/physiol Actions【生化/生理作用】 | UFP-101 is a potent antagonist of nociceptin/orphanin FQ receptor; ORL1 |
产品性质
| Quality Level【质量水平】 | 100 |
| Assay【测定】 | ≥98% (HPLC) |
| form【形式】 | powder |
| storage temp.【储存温度】 | −20℃ |
| SMILES string | OC(=O)C(F)(F)F.C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNC(=O)CNCc2ccccc2)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)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](CCCNC(N)=N)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(N)=O |
| InChI | 1S/C82H138N32O21.C2HF3O2/c1-45(102-64(121)43-101-79(135)66(47(3)116)114-77(133)57(37-48-19-6-4-7-20-48)104-65(122)42-100-63(120)41-99-62(119)40-95-39-49-21-8-5-9-22-49)68(124)106-54(26-16-34-96-80(89)90)71(127)110-53(25-12-15-33-85)75(131)113-59(44-115)78(134)103-46(2)69(125)107-55(27-17-35-97-81(91)92)72(128)108-51(23-10-13-31-83)70(126)111-56(28-18-36-98-82(93)94)73(129)109-52(24-11-14-32-84)74(130)112-58(38-61(87)118)76(132)105-50(67(88)123)29-30-60(86)117;3-2(4,5)1(6)7/h4-9,19-22,45-47,50-59,66,95,115-116H,10-18,23-44,83-85H2,1-3H3,(H2,86,117)(H2,87,118)(H2,88,123)(H,99,119)(H,100,120)(H,101,135)(H,102,121)(H,103,134)(H,104,122)(H,105,132)(H,106,124)(H,107,125)(H,108,128)(H,109,129)(H,110,127)(H,111,126)(H,112,130)(H,113,131)(H,114,133)(H4,89,90,96)(H4,91,92,97)(H4,93,94,98);(H,6,7)/t45-,46-,47+,50-,51-,52-,53-,54-,55-,56-,57-,58-,59-,66-;/m0./s1 |
| InChI key | JBYBTOHYBYFCOD-XLNLJAOCSA-N |
| packaging【包装】 | 1 mg in glass bottle |
安全信息
| Pictograms【象形图】 | GHS07 |
| Signal word【警示用语：】 | Warning |
| Hazard Statements | H315 - H319 - H335 |
| Precautionary Statements | P302 + P352 - P305 + P351 + P338 |
| Hazard Classifications【危险分类】 | Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3 |
| Target Organs【靶器官】 | Respiratory system |
| Storage Class Code【储存分类代码】 | 11 - Combustible Solids |
| WGK | WGK 3 |
