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Substance Name: Amphotericin B, N-(DL-2,4-diaminobutyryl)-, methyl ester
ID: BU26650500
InChIKey: OHSGVHZGFXTSDH-IHKBMTQFSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C52-H83-N3-O18

Molecular Weight

  • 1038.2307
 
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Names and Synonyms

Synonym

  • N-(DL-2,4-Diaminobutyryl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-(DL-2,4-diaminobutyryl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2665050

System Generated Number

  • BU26650500

Structure Descriptors

InChI

1S/C52H83N3O18/c1-30-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(72-51-48(65)45(47(64)33(4)71-51)55-49(66)38(54)22-23-53)27-42-44(50(67)69-5)41(61)29-52(68,73-42)28-36(58)25-40(60)39(59)21-20-34(56)24-35(57)26-43(62)70-32(3)31(2)46(30)63/h6-19,30-42,44-48,51,56-61,63-65,68H,20-29,53-54H2,1-5H3,(H,55,66)/b7-6+,10-8+,11-9+,14-12+,15-13+,18-16+,19-17+/t30-,31-,32-,33+,34+,35+,36-,37-,38?,39+,40+,41-,42-,44+,45-,46+,47+,48-,51-,52+/m0/s1

InChIKey

OHSGVHZGFXTSDH-IHKBMTQFSA-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(N)CCN)[C@@H]3O