N-(N'-(3-Dimethylaminopropyl)-N''-Ethylguanyl)-Amphotericin B
[CAS# 87263-93-2]

Identification

• Name: N-(N'-(3-Dimethylaminopropyl)-N''-Ethylguanyl)-Amphotericin B
• Synonyms: Amphotericin B, N-[[[3-(dimethylamino)propyl]amino](ethylamino)methylene]-; DAPEG; N-(N'-(3-Dimethylaminopropyl)N''-ethylguanyl)amphotericin B
• Molecular Formula: C₅₅H₉₀N₄O₁₇
• Molecular Weight: 1079.32
• CAS Registry Number: 87263-93-2
• SMILES: O=C(O)C1C(O)C[C@]3(O)OC1C[C@@H](O[C@H]2O[C@H](C)[C@H](O)[C@H](NC(=N/CCCN(C)C)/NCC)[C@@H]2O)/C=C/C=C\C=C/C=C\C=C/C=C\C=C/[C@H](C)[C@@H](O)[C@@H](C)[C@@H](OC(=O)CC(O)CC(O)CC(O)CCC(O)C(O)C3)C
• InChI: 1S/C55H90N4O17/c1-8-56-54(57-26-21-27-59(6)7)58-48-50(68)37(5)74-53(51(48)69)75-41-23-20-18-16-14-12-10-9-11-13-15-17-19-22-34(2)49(67)35(3)36(4)73-46(66)30-40(62)29-39(61)28-38(60)24-25-42(63)43(64)32-55(72)33-44(65)47(52(70)71)45(31-41)76-55/h9-20,22-23,34-45,47-51,53,60-65,67-69,72H,8,21,24-33H2,1-7H3,(H,70,71)(H2,56,57,58)/b10-9+,13-11+,14-12-,17-15+,18-16+,22-19+,23-20+/t34-,35-,36-,37+,38?,39?,40?,41-,42?,43?,44?,45?,47?,48-,49+,50-,51-,53+,55+/m0/s1
• InChIKey: ULJPJEIXJLBKTH-URXQQTIOSA-N

Properties

• Density: 1.28g/cm³ (Cal.)
• Boiling point: 1190.77°C at 760 mmHg (Cal.)
• Flash point: 673.953°C (Cal.)