Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Regorafenib hydrate [JAN]
RN: 1019206-88-2
UNII: MGN125FS9D
InChIKey: ZOPOQLDXFHBOIH-UHFFFAOYSA-N

Note

  • Has antineoplastic activity.

    NCI: An orally bioavailable small molecule with potential antiangiogenic and antineoplastic activities. Regorafenib binds to and inhibits vascular endothelial growth factor receptors (VEGFRs) 2 and 3, and Ret, Kit, PDGFR and Raf kinases, which may result in the inhibition of tumor angiogenesis and tumor cell proliferation. VEGFRs are receptor tyrosine kinases that play important roles in tumor angiogenesis; the receptor tyrosine kinases RET, KIT, and PDGFR, and the serine/threonine-specific Raf kinase are involved in tumor cell signaling. (NCI Thesaurus)

Molecular Formula

  • C21-H15-Cl-F4-N4-O3.H2-O

Molecular Weight

  • 500.8343
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Results Name

  • Regorafenib hydrate [JAN]

Name of Substance

  • Regorafenib monohydrate

Synonyms

  • 2-Pyridinecarboxamide, 4-(4-((((4-chloro-3-(trifluoromethyl)phenyl)amino)carbonyl)amino)-3-fluorophenoxy)-N-methyl-, hydrate (1:1)
  • BAY 73-4506
  • Regorafenib hydrate
  • Regorafenib hydrate [JAN]
  • Regorafenib monohydrate
  • Stivarga
  • UNII-MGN125FS9D

Registry Numbers

CAS Registry Number

  • 1019206-88-2

FDA UNII

  • MGN125FS9D

System Generated Number

  • 1019206882

Structure Descriptors

InChI

1S/C21H15ClF4N4O3.H2O/c1-27-19(31)18-10-13(6-7-28-18)33-12-3-5-17(16(23)9-12)30-20(32)29-11-2-4-15(22)14(8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H2

InChIKey

ZOPOQLDXFHBOIH-UHFFFAOYSA-N

Smiles

CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)C(F)(F)F)Cl.O