1-氨基-4-[[3-[(5-氯-2,6-二氟-4-吡啶基)氨基]-2-甲基-5-磺苯]氨基]-9,10-二氢-9,10-二氧代蒽-2-磺酸二钠

CAS号
72139-17-4
CCD编号
CCD08273123
分子式
C25 H14 Cl F2 N5 O8 S2 . 2 Na
分子量
695.974

基本信息

产品名称: 1-氨基-4-[[3-[(5-氯-2,6-二氟-4-吡啶基)氨基]-2-甲基-5-磺苯]氨基]-9,10-二氢-9,10-二氧代蒽-2-磺酸二钠
CAS: 72139-17-4
中文同义词: (2S,3S,4R,5R)-N-环丙基-3,4-二羟基-5-[(6Z)-1-羟基-6-亚氨基-1,6-二氢-9H-嘌呤-9-基]四氢呋喃-2-甲酰胺 (non-preferred name) ; 1-氨基-4-[[3-[(5-氯-2,6-二氟-4-吡啶基)氨基]-2-甲基-5-磺苯]氨基]-9,10-二氢-9,10-二氧代蒽-2-磺酸二钠
英文同义词: 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号: MFCD23142861
氢键受体数量: 13
氢键供体数量: 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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