Daclatasvir

CAS Registry Number®

1009119-64-5
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CAS Name

Daclatasvir

Molecular Formula

C40H50N8O6

Molecular Mass

738.88

Cite this Page

Daclatasvir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1009119-64-5 (retrieved 2024-06-19) (CAS RN: 1009119-64-5).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C40H50N8O6/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)/t31-,32-,33-,34-/m0/s1

InChIKey

InChIKey=FKRSSPOQAMALKA-CUPIEXAXSA-N

SMILES

C([C@@H](NC(OC)=O)C(C)C)(=O)N1[C@@H](CCC1)C=2NC(=CN2)C3=CC=C(C=C3)C4=CC=C(C=C4)C=5NC(=NC5)[C@H]6N(C([C@@H](NC(OC)=O)C(C)C)=O)CCC6

Canonical SMILES

O=C(OC)NC(C(=O)N1CCCC1C2=NC=C(N2)C=3C=CC(=CC3)C=4C=CC(=CC4)C5=CN=C(N5)C6N(C(=O)C(NC(=O)OC)C(C)C)CCC6)C(C)C

Other Names for this Substance

  • Carbamic acid, 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]]]bis-, C,C′-dimethyl ester
  • EBP 883
  • BMS 790052
  • Daclatasvir
  • Daklanork

Deleted or Replaced CAS Registry Numbers

1214735-16-6

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