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Substance Name: Paritaprevir dihydrate
RN: 1456607-71-8
UNII: HRQ5901O78
InChIKey: AWGQIDLXYMGEEH-RHSIAEQTSA-N

Molecular Formula

  • C40-H43-N7-O7-S.2H2-O

Molecular Weight

  • 801.9173
 
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Names and Synonyms

Name of Substance

  • Paritaprevir dihydrate

Synonyms

  • ABT 450 dihydrate
  • ABT-450 dihydrate
  • Paritaprevir dihydrate
  • UNII-HRQ5901O78

Registry Numbers

CAS Registry Number

  • 1456607-71-8

FDA UNII

  • HRQ5901O78

System Generated Number

  • 1456607718

Structure Descriptors

InChI

1S/C40H43N7O7S.2H2O/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);2*1H2/b11-5-;;/t25-,26-,32+,34+,40-;;/m1../s1

InChIKey

AWGQIDLXYMGEEH-RHSIAEQTSA-N

Smiles

Cc1cnc(cn1)C(=O)N[C@H]2CCCCC/C=C\[C@@H]3C[C@]3(NC(=O)[C@@H]4C[C@H](CN4C2=O)Oc5c6ccccc6c7ccccc7n5)C(=O)NS(=O)(=O)C8CC8.O.O