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Substance Name: Amphotericin B, N-D-ornithyl-, 2-propynyl ester
ID: BU28130000
InChIKey: NYJRNGPGNIETBH-HMOOMIAESA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C55-H85-N3-O18

Molecular Weight

  • 1076.2795
 
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Names and Synonyms

Synonym

  • N-D-Ornithylamphotericin B 2-propynyl ester

Systematic Name

  • Amphotericin B, N-D-ornithyl-, 2-propynyl ester

Registry Numbers

ID Number

  • NIOSH/BU2813000

System Generated Number

  • BU28130000

Structure Descriptors

InChI

1S/C55H85N3O18/c1-6-26-72-53(70)47-44(64)32-55(71)31-39(61)28-43(63)42(62)24-23-37(59)27-38(60)29-46(65)73-35(4)34(3)49(66)33(2)20-17-15-13-11-9-7-8-10-12-14-16-18-21-40(30-45(47)76-55)75-54-51(68)48(50(67)36(5)74-54)58-52(69)41(57)22-19-25-56/h1,7-18,20-21,33-45,47-51,54,59-64,66-68,71H,19,22-32,56-57H2,2-5H3,(H,58,69)/b8-7+,11-9+,12-10+,15-13+,16-14+,20-17+,21-18+/t33-,34-,35-,36+,37+,38+,39-,40-,41+,42+,43+,44-,45-,47+,48-,49+,50+,51-,54-,55+/m0/s1

InChIKey

NYJRNGPGNIETBH-HMOOMIAESA-N

Smiles

C[C@H]1O[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](O)[C@@H](NC(=O)[C@H](N)CCCN)[C@@H]1O