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Substance Name: Barasertib dihydrochloride
RN: 722543-50-2
UNII: H3T2NXF7ZK
InChIKey: PEVRMFUIHQMEHQ-UHFFFAOYSA-N

Molecular Formula

  • C26-H31-F-N7-O6-P.2Cl-H

Molecular Weight

  • 660.4677
 
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Names and Synonyms

Name of Substance

  • Barasertib dihydrochloride

Synonyms

  • 1H-Pyrazole-3-acetamide, 5-((7-(3-(ethyl(2-(phosphonooxy)ethyl)amino)propoxy)-4-quinazolinyl)amino)-N-(3-fluorophenyl)-, hydrochloride (1:2)
  • Barasertib dihydrochloride
  • UNII-H3T2NXF7ZK

Registry Numbers

CAS Registry Number

  • 722543-50-2

FDA UNII

  • H3T2NXF7ZK

System Generated Number

  • 0722543502

Structure Descriptors

InChI

1S/C26H31FN7O6P.2ClH/c1-2-34(10-12-40-41(36,37)38)9-4-11-39-21-7-8-22-23(16-21)28-17-29-26(22)31-24-14-20(32-33-24)15-25(35)30-19-6-3-5-18(27)13-19;;/h3,5-8,13-14,16-17H,2,4,9-12,15H2,1H3,(H,30,35)(H2,36,37,38)(H2,28,29,31,32,33);2*1H

InChIKey

PEVRMFUIHQMEHQ-UHFFFAOYSA-N

Smiles

CCN(CCCOc1ccc2c(c1)ncnc2Nc3cc(n[nH]3)CC(=O)Nc4cccc(c4)F)CCOP(=O)(O)O.Cl.Cl