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Substance Name: Amphotericin B, N-((2-aminoethyl)carbamoyl)-, methyl ester
ID: BU26470000
InChIKey: DSOFWIKQOXEHMP-VJYNNRGWSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C51-H81-N3-O18

Molecular Weight

  • 1024.2039
 
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Names and Synonyms

Synonym

  • N-((2-Aminoethyl)carbamoyl)amphotericin B methyl ester

Systematic Name

  • Amphotericin B, N-((2-aminoethyl)carbamoyl)-, methyl ester

Registry Numbers

ID Number

  • NIOSH/BU2647000

System Generated Number

  • BU26470000

Structure Descriptors

InChI

1S/C51H81N3O18/c1-30-18-16-14-12-10-8-6-7-9-11-13-15-17-19-37(71-49-47(64)44(46(63)33(4)70-49)54-50(66)53-23-22-52)27-41-43(48(65)68-5)40(60)29-51(67,72-41)28-36(57)25-39(59)38(58)21-20-34(55)24-35(56)26-42(61)69-32(3)31(2)45(30)62/h6-19,30-41,43-47,49,55-60,62-64,67H,20-29,52H2,1-5H3,(H2,53,54,66)/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-,43+,44-,45+,46+,47-,49-,51+/m0/s1

InChIKey

DSOFWIKQOXEHMP-VJYNNRGWSA-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)NCCN)[C@@H]3O