Rivicycline
[CAS# 130030-59-0]

Identification

• Name: Rivicycline
• Synonyms: 3-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin mixt. with (4S-(4α,4aα,5aα,6β,12aα))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide monohydrochloride; Rifamycin, 3-(((4-methyl-1-piperazinyl)imino)methyl)-, mixt. with 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium chloride, (4S-(4α,4aα,5aα,6β,12aα))-4-(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,6,10,12,12a-pentahydroxy-6-methyl-1,11-dioxo-2-naphthacenecarboxamide and riboflavin
• Molecular Formula: C₉₄H₁₁₉ClN₁₄O₂₇S
• CAS Registry Number: 130030-59-0
• SMILES: Cc1cc2c(cc1C)n(c-3nc(=O)[nH]c(=O)c3n2)CC(C(C(CO)O)O)O.Cc1c(c2c3c4c1OC(C4=O)(OC=CC(C(C(C(C(C(C(C(C=CC=C(C(=O)NC(=C2O)C(=CNN5CCN(CC5)C)C3=O)C)C)O)C)O)C)OC(=O)C)C)OC)C)O.Cc1c(sc[n+]1Cc2cnc(nc2N)C)CCO.CC1(c2cccc(c2C(=C3C1CC4C(C(=O)C(=C(N)O)C(=O)C4(C3=O)O)N(C)C)O)O)O.[Cl-]
• InChI: 1S/C43H58N4O12.C22H24N2O8.C17H20N4O6.C12H17N4OS.ClH/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-14-29(56-10)23(3)39(58-27(7)48)25(5)35(50)24(4)34(21)49;1-21(31)8-5-4-6-11(25)12(8)16(26)13-9(21)7-10-15(24(2)3)17(27)14(20(23)30)19(29)22(10,32)18(13)28;1-7-3-9-10(4-8(7)2)21(5-11(23)14(25)12(24)6-22)15-13(18-9)16(26)20-17(27)19-15;1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;/h11-14,19-21,23-25,29,34-35,39,44,49-51,53H,15-18H2,1-10H3,(H,45,55);4-6,9-10,15,25-26,30-32H,7,23H2,1-3H3;3-4,11-12,14,22-25H,5-6H2,1-2H3,(H,20,26,27);5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);1H/q;;;+1;/p-1/b12-11+,19-14+,22-13+,28-20+;20-14-;;;/t21-,23+,24+,25+,29-,34-,35+,39+,43-;9-,10-,15-,21+,22-;11-,12+,14-;;/m001../s1
• InChIKey: JTRDNSBVVKRLJK-UYGZPMAPSA-M

Properties

• Refractive index: (Cal.)