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Substance Name: Amphotericin B, N-(DL-3-aminobutyryl)-, 2-propynyl ester
ID: BU26430000
InChIKey: PTRREBZQOGWLCC-VHGRWITOSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H83-N3-O18

Molecular Weight

  • 1047.2378
 
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Names and Synonyms

Synonym

  • N-(DL-4-Aminobutyryl)amphotericin B 2-propynyl ester

Systematic Name

  • Amphotericin B, N-(DL-3-aminobutyryl)-, 2-propynyl ester

Registry Numbers

ID Number

  • NIOSH/BU2643000

System Generated Number

  • BU26430000

Structure Descriptors

InChI

1S/C54H82N2O18/c1-7-24-70-52(68)47-43(62)31-54(69)30-39(59)27-42(61)41(60)23-22-37(57)26-38(58)28-46(64)71-35(5)34(4)49(65)32(2)20-18-16-14-12-10-8-9-11-13-15-17-19-21-40(29-44(47)74-54)73-53-51(67)48(50(66)36(6)72-53)56-45(63)25-33(3)55/h1,8-21,32-44,47-51,53,57-62,65-67,69H,22-31,55H2,2-6H3,(H,56,63)/b9-8+,12-10+,13-11+,16-14+,17-15+,20-18+,21-19+/t32-,33?,34-,35-,36+,37+,38+,39-,40-,41+,42+,43-,44-,47+,48-,49+,50+,51-,53-,54+/m0/s1

InChIKey

PTRREBZQOGWLCC-VHGRWITOSA-N

Smiles

CC(N)CC(=O)N[C@H]1[C@H](O)[C@@H](C)O[C@@H](O[C@@H]2C[C@@H]3O[C@](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\2)C[C@H](O)[C@H]3C(=O)OCC#C)[C@H]1O