他拉泊芬钠

pro_cas
220201-34-3
pro_cdbregno
CCD02010036
pro_formula
C38 H37 N5 O9 . 4 Na
pro_molWeight
799.696

basic_info

Product_Name: 他拉泊芬钠
CAS: 220201-34-3
中文同义词: 乙酰腈,2-(3-氨基-2-甲基苯氧基)- ; 他拉泊芬钠
EnglishSynonyms: TALAPORFIN SODIUM
pro_mdlNumber: MFCD13194907
pro_acceptors: 14
pro_donors: 3
pro_smile: CCC\1=C(c2/cc\3/c(c(/c(/[nH]3)c/c4n/c(c(\c5c(c(c([nH]5)/cc1\n2)C)C(=O)[O-])/CC(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])/[C@@H]([C@@H]4C)CCC(=O)[O-])C)C=C)C.[Na+].[Na+].[Na+].[Na+]
InChi: InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22+,30-;;;;/m0..../s1
InChiKey: InChIKey=KPALSRNVSRWOPA-ULOAIXPMSA-J

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