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Substance Name: MK-1775 hemihydrate
RN: 1277170-60-1
UNII: NDV91627P9
InChIKey: BMQMRZXQRFUQIR-UHFFFAOYSA-N

Molecular Formula

  • 2C27-H32-N8-O2.H2-O

Molecular Weight

  • 1019.2224
 
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Names and Synonyms

Name of Substance

  • MK-1775 hemihydrate

Synonyms

  • 3H-Pyrazolo(3,4-d)pyrimidin-3-one, 1,2-dihydro-1-(6-(1-hydroxy-1-methylethyl)-2-pyridinyl)-6-((4-(4-methyl-1-piperazinyl)phenyl)amino)-2-(2-propen-1-yl)-, hydrate (2:1)
  • MK-1775 hemihydrate
  • UNII-NDV91627P9

Registry Numbers

CAS Registry Number

  • 1277170-60-1

FDA UNII

  • NDV91627P9

System Generated Number

  • 1277170601

Structure Descriptors

InChI

1S/2C27H32N8O2.H2O/c2*1-5-13-34-25(36)21-18-28-26(29-19-9-11-20(12-10-19)33-16-14-32(4)15-17-33)31-24(21)35(34)23-8-6-7-22(30-23)27(2,3)37;/h2*5-12,18,37H,1,13-17H2,2-4H3,(H,28,29,31);1H2

InChIKey

BMQMRZXQRFUQIR-UHFFFAOYSA-N

Smiles

CC(C)(c1cccc(n1)n2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)c(=O)n2CC=C)O.CC(C)(c1cccc(n1)n2c3c(cnc(n3)Nc4ccc(cc4)N5CCN(CC5)C)c(=O)n2CC=C)O.O