Doxycycline Polymetaphosphate Sodium Complex
[CAS# 64858-59-9]

Identification

• Name: Doxycycline Polymetaphosphate Sodium Complex
• Synonyms: Disodium; (2Z,4S,4Ar,5S,5Ar,6R,12As)-2-(Amino-Hydroxy-Methylene)-4-Dimethylamino-5,10,11,12A-Tetrahydroxy-6-Methyl-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; 2,4,6,8,10,12-Hexahydroxy-1,3,5,7,9,11-Hexaoxa-2$L^{5},4$L^{5},6$L^{5},8$L^{5},10$L^{5},12$L^{5}-Hexaphosphacyclododecane 2,4,6,8,10,12-Hexaoxide; Disodium; (2Z,4S,4Ar,5S,5Ar,6R,12As)-2-(Amino-Hydroxymethylene)-4-Dimethylamino-5,10,11,12A-Tetrahydroxy-6-Methyl-4A,5,5A,6-Tetrahydro-4H-Tetracene-1,3,12-Trione; 2,4,6,8,10,12-Hexahydroxy-1,3,5,7,9,11-Hexaoxa-2$L^{5},4$L^{5},6$L^{5},8$L^{5},10$L^{5},12$L^{5}-Hexaphosphacyclododecane 2,4,6,8,10,12-Hexaoxide
• Molecular Formula: C₈₈H₁₀₂N₈Na₂O₅₀P₆
• Molecular Weight: 2303.62
• CAS Registry Number: 64858-59-9
• SMILES: N([C@H]3[C@@H]2[C@@H](O)[C@@H]1[C@H](C4=C(C(=C1C(=O)[C@]2(O)C(=O)\C(C3=O)=C(O)\N)O)C(=CC=C4)O)C)(C)C.N/C(O)=C8/C(=O)[C@]6(O)[C@@H]([C@@H](O)[C@@H]5[C@H](C7=C(C(=C5C6=O)O)C(=CC=C7)O)C)[C@H](N(C)C)C8=O.[C@@H]%10%11[C@@H](O)[C@@H]9[C@H](C%12=C(C(=C9C(=O)[C@]%10(O)C(=O)\C(C(=O)[C@H]%11N(C)C)=C(/O)N)O)C(=CC=C%12)O)C.[C@@H]%14%15[C@@H](O)[C@@H]%13[C@H](C%16=C(C(=C%13C(=O)[C@]%14(O)C(=O)\C(C(=O)[C@H]%15N(C)C)=C(/O)N)O)C(=CC=C%16)O)C.O=[P]%17(O[P](O[P](O[P](O[P](O[P](O%17)(O)=O)(O)=O)(O)=O)(O)=O)(O)=O)O.[Na+].[Na+]
• InChI: 1S/4C22H24N2O8.2Na.H6O18P6/c4*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;;;1-19(2)13-20(3,4)15-22(7,8)17-24(11,12)18-23(9,10)16-21(5,6)14-19/h4*4-7,10,14-15,17,25-27,31-32H,23H2,1-3H3;;;(H,1,2)(H,3,4)(H,5,6)(H,7,8)(H,9,10)(H,11,12)/q;;;;2*+1;/b4*21-13-;;;/t4*7-,10+,14+,15-,17-,22-;;;/m0000.../s1
• InChIKey: XIMWLJGJOAKWQH-ZKKVZSDESA-N