Fungizone Intravenous
[CAS# 58501-21-6]

Identification

• Name: Fungizone Intravenous
• Synonyms: Sodium; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-Tetrahydropyran-2-Yl]Oxy-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27,29,31-Heptaene-36-Carboxylic Acid; (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate; Sodium; (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[[(2R,3S,4S,5S,6R)-4-Amino-3,5-Dihydroxy-6-Methyl-2-Tetrahydropyranyl]Oxy]-1,3,5,6,9,11,17,37-Octahydroxy-15,16,18-Trimethyl-13-Oxo-14,39-Dioxabicyclo[33.3.1]Nonatriaconta-19,21,23,25,27,29,31-Heptaene-36-Carboxylic Acid; (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-3,12-Dihydroxy-10,13-Dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-Tetradecahydro-1H-Cyclopenta[A]Phenanthren-17-Yl]Pentanoate
• Molecular Formula: C₇₁H₁₁₂NNaO₂₁
• Molecular Weight: 1338.65
• CAS Registry Number: 58501-21-6
• SMILES: [C@]34([C@H]([C@H]1[C@@H]([C@@]2([C@H](CC1)C[C@H](O)CC2)C)C[C@@H]3O)CC[C@@H]4[C@@H](CCC([O-])=O)C)C.[C@@]57(O[C@H]([C@@H]([C@@H](O)C5)C(O)=O)C[C@@H](O[C@@H]6O[C@@H]([C@@H](O)[C@H](N)[C@@H]6O)C)\C=C/C=C\C=C/C=C\C=C/C=C\C=C/[C@@H]([C@@H](O)[C@H]([C@@H](OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C7)C)C)C)O.[Na+]
• InChI: 1S/C47H73NO17.C24H40O4.Na/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56;1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3;/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);14-21,25-26H,4-13H2,1-3H3,(H,27,28);/q;;+1/p-1/b6-5-,9-7-,10-8-,13-11-,14-12-,17-15-,18-16-;;/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+;14-,15-,16-,17+,18-,19+,20+,21+,23+,24-;/m01./s1
• InChIKey: NFHDUMMQBQTVTR-FSSPMYAESA-M