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Substance Name: Cevipabulin fumarate [USAN]
RN: 849550-69-2
UNII: Q380BYV049
InChIKey: UUFXQPPJVCARJY-CBVSRFFLSA-N

Note

  • Antimitotic agent.

Classification Code

  • Treatment of Cancer

Molecular Formula

  • C18-H18-Cl-F5-N6-O.C4-H4-O4.2(H2-O)

Molecular Weight

  • 616.9254
 
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Names and Synonyms

Name of Substance

  • Cevipabulin fumarate [USAN]

Synonyms

  • Cevipabulin fumarate
  • TTI-237
  • UNII-Q380BYV049

Systematic Name

  • (1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, 5-chloro-6-(2,6-difluoro-4-(3-(methylamino)propoxy)phenyl)-N-((1S)-2,2,2-trifluoro-1-methylethyl)-, (2E)-2-butenedioate (1:1), dihydrate

Registry Numbers

CAS Registry Number

  • 849550-69-2

FDA UNII

  • Q380BYV049

System Generated Number

  • 0849550692

Molecular Formulas

Molecular Formula

  • C18-H18-Cl-F5-N6-O.C4-H4-O4.2(H2-O)

Molecular Formula Fragments

  • C18-H18-Cl-F5-N6-O
  • C4-H4-O4
  • COMPONENT
  • H2-O

Structure Descriptors

InChI

1S/C18H18ClF5N6O.C4H4O4.2H2O/c1-9(18(22,23)24)28-16-14(15(19)29-17-26-8-27-30(16)17)13-11(20)6-10(7-12(13)21)31-5-3-4-25-2;5-3(6)1-2-4(7)8;;/h6-9,25,28H,3-5H2,1-2H3;1-2H,(H,5,6)(H,7,8);2*1H2/b;2-1+;;/t9-;;;/m0.../s1

InChIKey

UUFXQPPJVCARJY-CBVSRFFLSA-N

Smiles

O.O.CNCCCOc1cc(F)c(c(F)c1)c2c(Cl)nc3ncnn3c2N[C@@H](C)C(F)(F)F.OC(=O)\C=C\C(=O)O