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Substance Name: Amphotericin B, N-(D-2,4-diaminobutyryl)-, 2-propynyl ester
ID: BU26653000
InChIKey: KPSDUTIGHOSKHE-QIFMBSGQSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C54-H83-N3-O18

Molecular Weight

  • 1062.2527
 
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Names and Synonyms

Synonym

  • N-(D-2,4-Diaminobutyryl)amphotericin B 2-propynyl ester

Systematic Name

  • Amphotericin B, N-(D-2,4-diaminobutyryl)-, 2-propynyl ester

Registry Numbers

ID Number

  • NIOSH/BU2665300

System Generated Number

  • BU26653000

Structure Descriptors

InChI

1S/C54H83N3O18/c1-6-25-71-52(69)46-43(63)31-54(70)30-38(60)27-42(62)41(61)22-21-36(58)26-37(59)28-45(64)72-34(4)33(3)48(65)32(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-39(29-44(46)75-54)74-53-50(67)47(49(66)35(5)73-53)57-51(68)40(56)23-24-55/h1,7-20,32-44,46-50,53,58-63,65-67,70H,21-31,55-56H2,2-5H3,(H,57,68)/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42+,43-,44-,46+,47-,48+,49+,50-,53-,54+/m0/s1

InChIKey

KPSDUTIGHOSKHE-QIFMBSGQSA-N

Smiles

C[C@@H]1OC(=O)C[C@H](O)C[C@H](O)CC[C@@H](O)[C@H](O)C[C@H](O)C[C@]2(O)C[C@H](O)[C@H]([C@H](C[C@@H](O[C@@H]3O[C@H](C)[C@@H](O)[C@H](NC(=O)[C@H](N)CCN)[C@@H]3O)\C=C\C=C\C=C\C=C\C=C\C=C\C=C\[C@H](C)[C@@H](O)[C@H]1C)O2)C(=O)OCC#C