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Substance Name: Glecaprevir [USAN]
RN: 1365970-03-1
UNII: K6BUU8J72P
InChIKey: MLSQGNCUYAMAHD-ITNVBOSISA-N

Note

  • Has antiviral activity.

Classification Code

  • Treatment of Chronic Hepatitis C Infection

Molecular Formula

  • C38-H46-F4-N6-O9-S

Molecular Weight

  • 838.8724
 
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Names and Synonyms

Name of Substance

  • Glecaprevir [USAN]

Synonyms

  • (3aR,7S,10S,12R,21E,24aR)-7-tert-butyl-N-((1R,2R)-2-(difluoromethyl)-1-((1-methylcyclopropane-1-sulfonyl)carbamoyl)cyclopropyl)-20,20-difluoro-5,8-dioxo-2,3,3a,5,6,7,8,11,12,20,23,24a-dodecahydro-1H,10H-9,12-methanocyclopenta(18,19)(1,10,17,3,6)trioxadiazacyclononadecino(11,12-b)quinoxaline-10-carboxamide
  • A-1282576.0
  • ABT 493
  • ABT-493
  • Glecaprevir
  • UNII-K6BUU8J72P

Systematic Name

  • Cyclopropanecarboxamide, N-((((1R,2R)-2-((4,4-difluoro-4-(3-hydroxy-2-quinoxalinyl)-2-buten-1-yl)oxy)cyclopentyl)oxy)carbonyl)-3-methyl-L-valyl-(4R)-4-hydroxy-L-prolyl-1-amino-2-(difluoromethyl)-N-((1-methylcyclopropyl)sulfonyl)-, cyclic (1->2)-ether, (1R,2R)-

Registry Numbers

CAS Registry Number

  • 1365970-03-1

FDA UNII

  • K6BUU8J72P

System Generated Number

  • 1365970031

Structure Descriptors

InChI

InChI=1S/C38H46F4N6O9S/c1-35(2,3)28-32(50)48-19-20(17-24(48)30(49)46-37(18-21(37)29(39)40)33(51)47-58(53,54)36(4)14-15-36)56-31-27(43-22-9-5-6-10-23(22)44-31)38(41,42)13-8-16-55-25-11-7-12-26(25)57-34(52)45-28/h5-6,8-10,13,20-21,24-26,28-29H,7,11-12,14-19H2,1-4H3,(H,45,52)(H,46,49)(H,47,51)/b13-8+/t20-,21+,24+,25-,26-,28-,37-/m1/s1

InChIKey

MLSQGNCUYAMAHD-ITNVBOSISA-N

Smiles

CC(C)(C)[C@@H]1NC(=O)O[C@@H]2CCC[C@H]2OC\C=C\C(F)(F)c3nc4ccccc4nc3O[C@@H]5C[C@H](N(C5)C1=O)C(=O)N[C@@]6(C[C@H]6C(F)F)C(=O)NS(=O)(=O)C7(C)CC7