Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Amphotericin B, N-(D-3,6-diaminohexanoyl)-, methyl ester
ID: BU26656000
InChIKey: JOQHMGVCBKQXLS-OYUDXZJZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H87-N3-O18

Molecular Weight

  • 1066.2843
 
* denotes mobile formatted website

Links to Resources


Search for this InChIKey on the Web

Names and Synonyms

Synonym

  • N-(D-3,6-Diaminohexanoyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(D-3,6-diaminohexanoyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2665600

System Generated Number

  • BU26656000

Structure Descriptors

InChI

1S/C54H87N3O18/c1-32-19-16-14-12-10-8-6-7-9-11-13-15-17-21-40(74-53-51(68)48(50(67)35(4)73-53)57-45(64)25-36(56)20-18-24-55)29-44-47(52(69)71-5)43(63)31-54(70,75-44)30-39(60)27-42(62)41(61)23-22-37(58)26-38(59)28-46(65)72-34(3)33(2)49(32)66/h6-17,19,21,32-44,47-51,53,58-63,66-68,70H,18,20,22-31,55-56H2,1-5H3,(H,57,64)/b7-6+,10-8+,11-9+,14-12+,15-13+,19-16+,21-17+/t32-,33-,34-,35+,36+,37+,38+,39-,40-,41+,42+,43-,44-,47+,48-,49+,50+,51-,53-,54+/m0/s1

InChIKey

JOQHMGVCBKQXLS-OYUDXZJZSA-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[C@H](N)CCCN)[C@@H]3O