DISODIUM 1-AMINO-4-[[3-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]-2-METHYL-5-SULPHONATOPHENYL]AMINO]-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULPHONATE

CAS No.
72139-17-4
CCD No.
CCD08273123
Formula
C25 H14 Cl F2 N5 O8 S2 . 2 Na
MolWeight
695.974

Basic Information

Product Name: DISODIUM 1-AMINO-4-[[3-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]-2-METHYL-5-SULPHONATOPHENYL]AMINO]-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULPHONATE
CAS: 72139-17-4
English Synonyms: DISODIUM 1-AMINO-4-[[3-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]-2-METHYL-5-SULPHONATOPHENYL]AMINO]-9,10-DIHYDRO-9,10-DIOXOANTHRACENE-2-SULPHONATE
MDL Number.: MFCD23142861
H bond acceptor: 13
H bond donor: 3
Smile: Cc1c(cc(cc1Nc2c(c(nc(n2)F)F)Cl)S(=O)(=O)[O-])Nc3cc(c(c4c3C(=O)c5ccccc5C4=O)N)S(=O)(=O)[O-].[Na+].[Na+]
InChi: InChI=1S/C25H16ClF2N5O8S2.2Na/c1-9-13(6-10(42(36,37)38)7-14(9)31-24-19(26)23(27)32-25(28)33-24)30-15-8-16(43(39,40)41)20(29)18-17(15)21(34)11-4-2-3-5-12(11)22(18)35;;/h2-8,30H,29H2,1H3,(H,31,32,33)(H,36,37,38)(H,39,40,41);;/q;2*+1/p-2
InChiKey: InChIKey=ZNJIJUTZYLARBY-UHFFFAOYSA-L

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