![N,N'-[[1,1'-Biphenyl]-4,4'-diylbis[1H-imidazole-5,2-diyl-(2S)-2,1-pyrrolidinediyl[(1S)-1-(1-methylethyl)-2-oxo-2,1-ethanediyl]]]biscarbamic acid dimethyl ester hydrochloride structure, CAS 1009119-65-6](/structures/180000/166560_2_1009119_65_6.png)
CAS Number1009119-65-6
SynonymsDaclatasvir dihydrochloride (USAN); daclatasvir hydrochloride; BMS-790052 dihydrochloride; MFCD18251440; Daklinza; CS-0270; Daclatasvir dihydrochloride; Daclatasvir hydrochloride (JAN); Daclatasvir HCL; BMS 790052; Daclatasvir (dihydrochloride)
Molecular FormulaC40H52Cl2N8O6
Molecular Weight811.797
Purity98.00%
AppearanceWhite to off-white solid
| Chemical & Physical Properties | |
|---|---|
| CAS Number | 1009119-65-6 |
| Catalog No. | 2A-1166558 |
| Chinese Name | 达卡他韦二盐酸盐 |
| Synonyms | Daclatasvir dihydrochloride (USAN); daclatasvir hydrochloride; BMS-790052 dihydrochloride; MFCD18251440; Daklinza; CS-0270; Daclatasvir dihydrochloride; Daclatasvir hydrochloride (JAN); Daclatasvir HCL; BMS 790052; Daclatasvir (dihydrochloride) |
| Molecular Formula | C40H52Cl2N8O6 |
| Molecular Weight | 811.797 |
| Purity | 98.00 |
| Appearance | White to off-white solid |
| Storage Condition | 2-8℃, dry |
| Application | Daclatasvir (BMS-790052) is a highly selective inhibitor of HCV NS5A with an EC50 of 9-50 pM. |
| PubChem ID | 57248672 |
| SMILES | COC(=O)NC(C(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(-c4cnc(C5CCCN5C(=O)C(NC(=O)OC)C(C)C)[nH]4)cc3)cc2)[nH]1)C(C)C.Cl.Cl |
| InChI | InChI=1S/C40H50N8O6.2ClH/c1-23(2)33(45-39(51)53-5)37(49)47-19-7-9-31(47)35-41-21-29(43-35)27-15-11-25(12-16-27)26-13-17-28(18-14-26)30-22-42-36(44-30)32-10-8-20-48(32)38(50)34(24(3)4)46-40(52)54-6;;/h11-18,21-24,31-34H,7-10,19-20H2,1-6H3,(H,41,43)(H,42,44)(H,45,51)(H,46,52);2*1H/t31-,32-,33-,34-;;/m0../s1 |
| InChI Key | BVZLLUDATICXCI-JMSCDMLISA-N |
| Transport Info | Product name: Daclatasvir dihydrochloride |
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