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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > halide salt > chloride salt > organic chloride salt > hydrochloride > daclatasvir hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > halide salt > chloride salt > organic chloride salt > hydrochloride > daclatasvir hydrochloride
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > salt > organic salt > organic halide salt > organic chloride salt > hydrochloride > daclatasvir hydrochloride

Preferred term

daclatasvir hydrochloride  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C40H52Cl2N8O6

has_part

has_role

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

mass

  • 811.79700

monoisotopicmass

  • 810.33869

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

subset

  • 3_STAR

synonym EXACT

  • 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

synonym RELATED

  • BMS 790052-05
  • BMS-790052-05
  • Daclatasvir dihydrochloride
  • Daklinza
  • 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

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:83800

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