| CAS NO: | 920014-72-8 |
| 中文别名 | Setmelanotide(cas:920014-72-8) |
| 英文别名 | Setmelanotide,920014-72-8 |
| CAS号 | 920014-72-8 |
| SMILES | O=C(N[C@@H](CSSC[C@](C(N[C@@H]1C)=O)([H])NC([C@@H](NC(C)=O)CCCNC(N)=N)=O)C(N)=O)[C@@H](NC([C@@H](NC([C@@](NC([C@@H](NC1=O)CC2=CN=CN2)=O)([H])CC3=CC=CC=C3)=O)CCCNC(N)=N)=O)CC4=CNC5=CC=CC=C45 |
| Inchi | InChI=1S/C49H68N18O9S2/c1-26-41(70)63-37(20-30-22-55-25-59-30)46(75)64-35(18-28-10-4-3-5-11-28)44(73)62-34(15-9-17-57-49(53)54)43(72)65-36(19-29-21-58-32-13-7-6-12-31(29)32)45(74)66-38(40(50)69)23-77-78-24-39(47(76)60-26)67-42(71)33(61-27(2)68)14-8-16-56-48(51)52/h3-7,10-13,21-22,25-26,33-39,58H,8-9,14-20,23-24H2,1-2H3,(H2,50,69)(H,55,59)(H,60,76)(H,61,68)(H,62,73)(H,63,70)(H,64,75)(H,65,72)(H,66,74)(H,67,71)(H4,51,52,56)(H4,53,54,57)/t26-,33+,34+,35-,36+,37+,38+,39+/m1/s1 |
| InchiKey | HDHDTKMUACZDAA-PHNIDTBTSA-N |
| 分子式 Formula | C49H68N18O9S2 |
| 分子量 Molecular Weight | 1117.31 |
| Polarizability极化度 | 114.1±0.5 10-24cm3 |
| 密度 Density | 1.5±0.1 g/cm3 |
| 溶解度Solubility | 生物体外In Vitro:H2O≥ 24 mg/mL(21.48 mM)*"≥" means soluble可溶, but saturation unknown溶解度未知. |
| 性状 | 固体粉末,Power |
| 储藏条件 Storage conditions | -20℃ 3 years年 4℃ 2 years年 / In solvent溶液中:-80℃ 6 months月 -20℃ 1 month月 |
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