DISODIUM 4-([2-(CARBAMOYLAMINO)-4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]PHENYL]DIAZENYL)-1,3-BENZENEDISULFONATE

CAS No.
83763-54-6
CCD No.
CCD08283447
Formula
C17 H10 Cl F2 N7 O7 S2 . 2 Na
MolWeight
607.869

Basic Information

Product Name: DISODIUM 4-([2-(CARBAMOYLAMINO)-4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]PHENYL]DIAZENYL)-1,3-BENZENEDISULFONATE
CAS: 83763-54-6
English Synonyms: SODIUM 4-[[2-[(AMINOCARBONYL)AMINO]-4-[(5-CHLORO-2,6-DIFLUOROPYRIMIDIN-4-YL)AMINO]PHENYL]AZO]BENZENE-1,3-DISULPHONATE ; DISODIUM 4-([2-(CARBAMOYLAMINO)-4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]PHENYL]DIAZENYL)-1,3-BENZENEDISULFONATE
MDL Number.: MFCD23380008
H bond acceptor: 14
H bond donor: 3
Smile: c1cc(c(cc1Nc2c(c(nc(n2)F)F)Cl)NC(=O)N)/N=N/c3ccc(cc3S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C17H12ClF2N7O7S2.2Na/c18-13-14(19)24-16(20)25-15(13)22-7-1-3-9(11(5-7)23-17(21)28)26-27-10-4-2-8(35(29,30)31)6-12(10)36(32,33)34;;/h1-6H,(H3,21,23,28)(H,22,24,25)(H,29,30,31)(H,32,33,34);;/q;2*+1/p-2/b27-26+;;
InChiKey: InChIKey=NKHYBWNQSRXAQY-YOYNBWDYSA-L

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