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Substance Name: Amphotericin B, N-(DL-2,4-diaminopropionyl)-, methyl ester
ID: BU26670000
InChIKey: FMPNKLMRBYVVKK-MFXFXWSNSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H81-N3-O18

Molecular Weight

  • 1024.2039
 
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Names and Synonyms

Synonym

  • N-(DL-2,4-Diaminopropionyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(DL-2,4-diaminopropionyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2667000

System Generated Number

  • BU26670000

Structure Descriptors

InChI

1S/C51H81N3O18/c1-29-18-16-14-12-10-8-6-7-9-11-13-15-17-19-36(71-50-47(64)44(46(63)32(4)70-50)54-48(65)37(53)28-52)25-41-43(49(66)68-5)40(60)27-51(67,72-41)26-35(57)23-39(59)38(58)21-20-33(55)22-34(56)24-42(61)69-31(3)30(2)45(29)62/h6-19,29-41,43-47,50,55-60,62-64,67H,20-28,52-53H2,1-5H3,(H,54,65)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t29-,30-,31-,32+,33+,34+,35-,36-,37?,38+,39+,40-,41-,43+,44-,45+,46+,47-,50-,51+/m0/s1

InChIKey

FMPNKLMRBYVVKK-MFXFXWSNSA-N

Smiles

COC(=O)[C@@H]1[C@@H](O)C[C@@]2(O)C[C@@H](O)C[C@@H](O)[C@H](O)CC[C@@H](O)C[C@@H](O)CC(=O)O[C@@H](C)[C@H](C)[C@H](O)[C@@H](C)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@@H](C[C@@H]1O2)O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NC(=O)C(N)CN)[C@@H]3O