Sodium 33-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
[CAS# 75442-91-0]

Identification

• Name: Sodium 33-[(3-amino-3,6-dideoxyhexopyranosyl)oxy]-1,3,4,7,11,17,37-heptahydroxy-15,16,18-trimethyl-9,13-dioxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylate
• Synonyms: Amphotericin B, 5,8,9-trideoxy-7,10-dihydroxy-5-oxo-, monosodium salt; Mycoheptin sodium salt; Sodium salt of mycoheptin
• Molecular Formula: C₄₇H₇₀NNaO₁₇
• Molecular Weight: 944.04
• CAS Registry Number: 75442-91-0
• SMILES: [Na+].[O-]C(=O)C1C(O)CC3(O)OC1CC(OC2OC(C)C(O)C(N)C2O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/C(C)C(O)C(C)C(OC(=O)CC(O)CC(=O)CC(O)CCC(O)C(O)C3)C
• InChI: 1S/C47H71NO17.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)25-36(53)35(52)20-19-31(49)21-32(50)22-33(51)23-39(55)62-29(3)28(2)42(27)56;/h5-18,27-31,33-38,40-44,46,49,51-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60);/q;+1/p-1/b6-5+,9-7+,10-8-,13-11+,14-12+,17-15+,18-16+
• InChIKey: UYZKKTUFGDMUPR-DNKHPOFDSA-M

Properties

• Boiling point: 1141°C at 760 mmHg (Cal.)
• Flash point: 643.8°C (Cal.)