5-[[4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]苯甲酰基]氨基]-4-羟基-3-[(2-磺酸苯基)偶氮]萘-2,7-二磺酸三钠

CAS号
72152-49-9
CCD编号
CCD08273124
分子式
C27 H14 Cl F2 N6 O11 S3 . 3 Na
分子量
837.056

基本信息

产品名称: 5-[[4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]苯甲酰基]氨基]-4-羟基-3-[(2-磺酸苯基)偶氮]萘-2,7-二磺酸三钠
CAS: 72152-49-9
中文同义词: 5'-O-(羟基{[羟基({羟基[(5-硫代萘-1-基)氨基]磷基}氧代)磷基]氧代}磷基)尿苷 ; 5-[[4-[(5-氯-2,6-二氟-4-嘧啶基)氨基]苯甲酰基]氨基]-4-羟基-3-[(2-磺酸苯基)偶氮]萘-2,7-二磺酸三钠
英文同义词: TRISODIUM 5-[[4-[(5-CHLORO-2,6-DIFLUORO-4-PYRIMIDINYL)AMINO]BENZOYL]AMINO]-4-HYDROXY-3-[(2-SULPHONATOPHENYL)AZO]NAPHTHALENE-2,7-DISULPHONATE
MDL号: MFCD23142862
氢键受体数量: 17
氢键供体数量: 3
Smile: c1ccc(c(c1)/N=N/c2c(cc3cc(cc(c3c2O)NC(=O)c4ccc(cc4)Nc5c(c(nc(n5)F)F)Cl)S(=O)(=O)[O-])S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+].[Na+]
InChi: InChI=1S/C27H17ClF2N6O11S3.3Na/c28-21-24(29)33-27(30)34-25(21)31-14-7-5-12(6-8-14)26(38)32-17-11-15(48(39,40)41)9-13-10-19(50(45,46)47)22(23(37)20(13)17)36-35-16-3-1-2-4-18(16)49(42,43)44;;;/h1-11,37H,(H,32,38)(H,31,33,34)(H,39,40,41)(H,42,43,44)(H,45,46,47);;;/q;3*+1/p-3/b36-35+;;;
InChiKey: InChIKey=DTJYROFTDDFIPE-ZRCOUJIOSA-K

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