REGORAFENIB HYDRATE

CAS No.
1019206-88-2
CCD No.
CCD08275875
Formula
C21 H15 Cl F4 N4 O3 . H2 O
MolWeight
500.834

Basic Information

Product Name: REGORAFENIB HYDRATE
CAS: 1019206-88-2
English Synonyms: REGORAFENIB HYDRATE ; REGORAFENIB MONOHYDRATE ; REGORAFENIB
MDL Number.: MFCD23160374
H bond acceptor: 7
H bond donor: 3
Smile: CNC(=O)c1cc(ccn1)Oc2ccc(c(c2)F)NC(=O)Nc3ccc(c(c3)Cl)C(F)(F)F.O
InChi: 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)29-11-2-4-14(15(22)8-11)21(24,25)26;/h2-10H,1H3,(H,27,31)(H2,29,30,32);1H2
InChiKey: InChIKey=JPJZGOHCCWOLKE-UHFFFAOYSA-N

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