Paritaprevir

CAS Registry Number®

1216941-48-8
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CAS Name

Paritaprevir

Molecular Formula

C40H43N7O7S

Molecular Mass

765.88

Cite this Page

Paritaprevir.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=1221573-85-8 (retrieved 2024-03-04) (CAS RN: 1216941-48-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    169-172 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C40H43N7O7S/c1-24-21-42-33(22-41-24)35(48)43-32-16-6-4-2-3-5-11-25-20-40(25,39(51)46-55(52,53)27-17-18-27)45-36(49)34-19-26(23-47(34)38(32)50)54-37-30-14-8-7-12-28(30)29-13-9-10-15-31(29)44-37/h5,7-15,21-22,25-27,32,34H,2-4,6,16-20,23H2,1H3,(H,43,48)(H,45,49)(H,46,51)/b11-5+/t25-,26-,32+,34+,40-/m1/s1

InChIKey

InChIKey=UAUIUKWPKRJZJV-CQMFXGGKSA-N

SMILES

C(NS(=O)(=O)C1CC1)(=O)[C@]23[C@@](C2)(/C=C/CCCCC[C@H](NC(=O)C=4C=NC(C)=CN4)C(=O)N5[C@](C(=O)N3)(C[C@@H](OC6=C7C(=C8C(=N6)C=CC=C8)C=CC=C7)C5)[H])[H]

Canonical SMILES

O=C(NC1C(=O)N2CC(OC=3N=C4C=CC=CC4=C5C=CC=CC35)CC2C(=O)NC6(C(=O)NS(=O)(=O)C7CC7)CC6C=CCCCCC1)C8=NC=C(N=C8)C

Other Names for this Substance

  • Cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide, N-(cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-dioxo-2-(6-phenanthridinyloxy)-, (2R,6S,12Z,13aS,14aR,16aS)-
  • (2R,6S,12Z,13aS,14aR,16aS)-N-(Cyclopropylsulfonyl)-1,2,3,6,7,8,9,10,11,13a,14,15,16,16a-tetradecahydro-6-[[(5-methyl-2-pyrazinyl)carbonyl]amino]-5,16-dioxo-2-(6-phenanthridinyloxy)cyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecine-14a(5H)-carboxamide
  • Paritaprevir
  • ABT 450

Deleted or Replaced CAS Registry Numbers

1221573-85-8

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