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Substance Name: Amphotericin B, N-histidyl-, methyl ester
ID: BU26900000
InChIKey: XYMXVJSZIRMGRN-BOTNPQSTSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H82-N4-O18

Molecular Weight

  • 1075.2518
 
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Names and Synonyms

Synonym

  • N-Histidylamphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-histidyl-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2690000

System Generated Number

  • BU26900000

Structure Descriptors

InChI

1S/C54H82N4O18/c1-31-18-16-14-12-10-8-6-7-9-11-13-15-17-19-39(75-53-50(68)47(49(67)34(4)74-53)58-51(69)40(55)22-35-29-56-30-57-35)26-44-46(52(70)72-5)43(64)28-54(71,76-44)27-38(61)24-42(63)41(62)21-20-36(59)23-37(60)25-45(65)73-33(3)32(2)48(31)66/h6-19,29-34,36-44,46-50,53,59-64,66-68,71H,20-28,55H2,1-5H3,(H,56,57)(H,58,69)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t31-,32-,33-,34+,36+,37+,38-,39-,40-,41+,42+,43-,44-,46+,47-,48+,49+,50-,53-,54+/m0/s1

InChIKey

XYMXVJSZIRMGRN-BOTNPQSTSA-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)Cc4c[nH]cn4)[C@@H]3O