CHEBI:83800 - daclatasvir hydrochloride

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ChEBI Name daclatasvir hydrochloride ChEBI ID CHEBI:83800 Definition A hydrochloride obtained by combining daclatasvir with two molar equivalents of hydrochloric acid. It is a potent inhibitor of nonstructural protein 5A and is used for treatment of hepatitis C. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Wikipedia License Read full article at Wikipedia Formula C40H52Cl2N8O6 Net Charge 0 Average Mass 811.79700 Monoisotopic Mass 810.33869 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 InChIKey BVZLLUDATICXCI-JMSCDMLISA-N SMILES Cl.Cl.COC(=O)N[C@@H](C(C)C)C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc(cc1)-c1ccc(cc1)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)OC)C(C)C Roles Classification Biological Role(s): antiviral drug A substance used in the prophylaxis or therapy of virus diseases. nonstructural protein 5A inhibitor Any inhibitor of nonstructural protein 5A. Application(s): antiviral drug A substance used in the prophylaxis or therapy of virus diseases. View more via ChEBI Ontology ChEBI Ontology Outgoing daclatasvir hydrochloride (CHEBI:83800) has part daclatasvir(2+) (CHEBI:83801) daclatasvir hydrochloride (CHEBI:83800) has role antiviral drug (CHEBI:36044) daclatasvir hydrochloride (CHEBI:83800) has role nonstructural protein 5A inhibitor (CHEBI:83799) daclatasvir hydrochloride (CHEBI:83800) is a hydrochloride (CHEBI:36807) IUPAC Name methyl [(2S)-1-{(2S)-2-[4-(4'-{2-[(2S)-1-{(2S)-2-[(methoxycarbonyl)amino]-3-methylbutanoyl}pyrrolidin-2-yl]-1H-imidazol-4-yl}biphenyl-4-yl)-1H-imidazol-2-yl]pyrrolidin-1-yl}-3-methyl-1-oxobutan-2-yl]carbamate dihydrochloride Synonyms Sources BMS 790052-05 ChemIDplus BMS-790052-05 ChemIDplus Daclatasvir dihydrochloride KEGG DRUG Dimethyl N,N'-(biphenyl-4,4'-diylbis(1H-imidazole-5,2-diyl-((2S)-pyrrolidine-2,1- diyl)((1S)-1-(1-methylethyl)-2-oxoethane-2,1-diyl)))dicarbamate dihydrochloride ChemIDplus Brand Name Source Daklinza KEGG DRUG Manual Xrefs Databases D10105 KEGG DRUG Daclatasvir Wikipedia View more database links Registry Numbers Types Sources 1009119-65-6 CAS Registry Number KEGG DRUG 1009119-65-6 CAS Registry Number ChemIDplus 13072109 Reaxys Registry Number Reaxys Citation Type Source 25117197 PubMed citation Europe PMC Last Modified 18 November 2014