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Substance Name: Grazoprevir [USAN]
RN: 1350462-55-3
UNII: 4O2AB118LA
InChIKey: RXSARIJMSJWJLZ-CIAYNJNFSA-N

Classification Code

  • Antiviral

Molecular Formula

  • C38-H50-N6-O9-S.H2-O

Molecular Weight

  • 784.9268
 
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Names and Synonyms

Name of Substance

  • Grazoprevir [USAN]

Synonyms

  • (1aR,5S,8S,10R,22aR)-N-((1R,2S)-1-((cyclopropylsulfonyl)carbamoyl)-2-ethenylcyclopropyl)-5-(1,1-dimethylethyl)-14-methoxy-3,6-dioxo-1,1a,3,4,5,6,9,10,18,19,20,21,22,22a-tetradecahydro-8H-7,10-methanocyclopropa(18,19)(1,10,3,6)dioxadiazacyclononadecino(11,12-b)quinoxaline-8-carboxamide hydrate
  • Grazoprevir
  • Grazoprevir hydrate
  • MK 5172
  • MK-5172
  • UNII-4O2AB118LA

Systematic Name

  • Cyclopropanecarboxamide, N-((((1R,2R)-2-(5-(3-hydroxy-6-methoxy-2-quinoxalinyl)pentyl)cyclopropyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-N-(cyclopropylsulfonyl)-2-ethenyl-, cyclic (1->2)-ether, hydrate (1 :1) (1R,2S)-

Registry Numbers

CAS Registry Number

  • 1350462-55-3

FDA UNII

  • 4O2AB118LA

System Generated Number

  • 1350462553

Structure Descriptors

InChI

1S/C38H50N6O9S.H2O/c1-6-22-19-38(22,35(47)43-54(49,50)25-13-14-25)42-32(45)29-18-24-20-44(29)34(46)31(37(2,3)4)41-36(48)53-30-16-21(30)10-8-7-9-11-27-33(52-24)40-28-17-23(51-5)12-15-26(28)39-27;/h6,12,15,17,21-22,24-25,29-31H,1,7-11,13-14,16,18-20H2,2-5H3,(H,41,48)(H,42,45)(H,43,47);1H2/t21-,22-,24-,29+,30-,31-,38-;/m1./s1

InChIKey

RXSARIJMSJWJLZ-CIAYNJNFSA-N

Smiles

O.COc1ccc2nc3CCCCC[C@@H]4C[C@H]4OC(=O)N[C@H](C(=O)N5C[C@@H](C[C@H]5C(=O)N[C@@]6(C[C@H]6C=C)C(=O)NS(=O)(=O)C7CC7)Oc3nc2c1)C(C)(C)C