Iprocinodine
[CAS# 67527-59-7]

Identification

• Name: Iprocinodine
• Synonyms: (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-3-Guanidino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]-N-[3-[4-(Isopropylamino)Butylamino]Propyl]Prop-2-Enamide Hydrochloride; (E)-3-[4-[[(2R,3R,4S,5S,6R)-5-[[[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Oxo-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-2-Tetrahydropyranyl]Amino]-Oxomethyl]Amino]-3-Guanidino-4-Hydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]Phenyl]-N-[3-[4-(Isopropylamino)Butylamino]Propyl]Prop-2-Enamide Hydrochloride; (E)-3-[4-[(2R,3R,4S,5S,6R)-5-[[(2S,3R,4R,5R)-5-[[(3As,6S,7R,7Ar)-2-Keto-7-Ureido-1,3A,4,6,7,7A-Hexahydropyrano[4,5-D]Oxazol-6-Yl]Oxy]-4-Hydroxy-3-Ureido-Tetrahydropyran-2-Yl]Carbamoylamino]-3-Guanidino-4-Hydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxyphenyl]-N-[3-[4-(Isopropylamino)Butylamino]Propyl]Acrylamide Hydrochloride
• Molecular Formula: C₄₀H₆₆ClN₁₃O₁₃
• Molecular Weight: 972.49
• CAS Registry Number: 67527-59-7
• SMILES: [C@H]15NC(O[C@@H]1CO[C@@H](O[C@H]2[C@H](O)[C@@H](NC(=O)N)[C@H](OC2)NC(=O)N[C@H]3[C@H](O)[C@@H](N=C(N)N)[C@H](O[C@@H]3C)OC4=CC=C(C=C4)\C=C\C(=O)NCCCNCCCCNC(C)C)[C@@H]5NC(=O)N)=O.[H+].[Cl-]
• InChI: 1S/C40H65N13O13.ClH/c1-19(2)46-15-5-4-13-45-14-6-16-47-25(54)12-9-21-7-10-22(11-8-21)64-35-30(48-36(41)42)32(56)26(20(3)63-35)51-39(59)53-33-29(50-38(44)58)31(55)24(18-61-33)65-34-28(49-37(43)57)27-23(17-62-34)66-40(60)52-27;/h7-12,19-20,23-24,26-35,45-46,55-56H,4-6,13-18H2,1-3H3,(H,47,54)(H,52,60)(H4,41,42,48)(H3,43,49,57)(H3,44,50,58)(H2,51,53,59);1H/b12-9+;/t20-,23-,24-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-;/m1./s1
• InChIKey: XVUANDZUZQODPG-JSVTTWRTSA-N