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Substance Name: Amphotericin B, N-D-ornithyl-, 3-phenyl-2-propynyl ester
ID: BU28120000
InChIKey: RTZIOWWRJDNWHB-URJHIIHDSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C61-H89-N3-O18

Molecular Weight

  • 1152.3771
 
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Names and Synonyms

Synonym

  • N-D-Ornithylamphotericin B 3-phenyl-2-propynyl ester

Systematic Name

  • Amphotericin B, N-D-ornithyl-, 3-phenyl-2-propynyl ester

Registry Numbers

ID Number

  • NIOSH/BU2812000

System Generated Number

  • BU28120000

Structure Descriptors

InChI

1S/C61H89N3O18/c1-38-22-16-13-11-9-7-5-6-8-10-12-14-19-26-46(81-60-57(74)54(56(73)41(4)80-60)64-58(75)47(63)27-20-30-62)35-51-53(59(76)78-31-21-25-42-23-17-15-18-24-42)50(70)37-61(77,82-51)36-45(67)33-49(69)48(68)29-28-43(65)32-44(66)34-52(71)79-40(3)39(2)55(38)72/h5-19,22-24,26,38-41,43-51,53-57,60,65-70,72-74,77H,20,27-37,62-63H2,1-4H3,(H,64,75)/b6-5+,9-7+,10-8+,13-11+,14-12+,22-16+,26-19+/t38-,39-,40-,41+,43+,44+,45-,46-,47+,48+,49+,50-,51-,53+,54-,55+,56+,57-,60-,61+/m0/s1

InChIKey

RTZIOWWRJDNWHB-URJHIIHDSA-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#Cc4ccccc4)[C@@H](O)[C@@H](NC(=O)[C@H](N)CCCN)[C@@H]1O