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Substance Name: Amphotericin B, N-L-ornithyl-, methyl ester
ID: BU28111000
InChIKey: VZFNAPRHHZYCLT-JCJSUGAWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C53-H85-N3-O18

Molecular Weight

  • 1052.2575
 
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Names and Synonyms

Synonym

  • N-L-Ornithylamphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-L-ornithyl-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2811100

System Generated Number

  • BU28111000

Structure Descriptors

InChI

1S/C53H85N3O18/c1-31-19-16-14-12-10-8-6-7-9-11-13-15-17-20-38(73-52-49(66)46(48(65)34(4)72-52)56-50(67)39(55)21-18-24-54)28-43-45(51(68)70-5)42(62)30-53(69,74-43)29-37(59)26-41(61)40(60)23-22-35(57)25-36(58)27-44(63)71-33(3)32(2)47(31)64/h6-17,19-20,31-43,45-49,52,57-62,64-66,69H,18,21-30,54-55H2,1-5H3,(H,56,67)/b7-6+,10-8+,11-9+,14-12+,15-13+,19-16+,20-17+/t31-,32-,33-,34+,35+,36+,37-,38-,39-,40+,41+,42-,43-,45+,46-,47+,48+,49-,52-,53+/m0/s1

InChIKey

VZFNAPRHHZYCLT-JCJSUGAWSA-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@@H](N)CCCN)[C@@H]3O