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Substance Name: Amphotericin B 3-dimethylaminopropylamide
RN: 81419-68-3
UNII: 9Q20HK7UUX
InChIKey: IHYRKUCBNVVLAJ-GYSQFXMXSA-N

Molecular Weight

  • 1008.2485
 
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Names and Synonyms

Name of Substance

  • Amphotericin B 3-dimethylaminopropylamide

Synonyms

  • Amphotericin B, 16-decarboxy-16-(((3-(dimethylamino)propyl)amino)carbonyl)-
  • UNII-9Q20HK7UUX

Registry Numbers

CAS Registry Number

  • 81419-68-3

FDA UNII

  • 9Q20HK7UUX

System Generated Number

  • 0081419683

Structure Descriptors

InChI

1S/C52H85N3O16/c1-32-20-17-15-13-11-9-7-8-10-12-14-16-18-21-39(70-51-49(65)46(53)48(64)35(4)69-51)29-43-45(50(66)54-24-19-25-55(5)6)42(61)31-52(67,71-43)30-38(58)27-41(60)40(59)23-22-36(56)26-37(57)28-44(62)68-34(3)33(2)47(32)63/h7-18,20-21,32-43,45-49,51,56-61,63-65,67H,19,22-31,53H2,1-6H3,(H,54,66)/b8-7+,11-9+,12-10+,15-13+,16-14+,20-17+,21-18+/t32-,33-,34-,35+,36+,37+,38-,39-,40+,41+,42-,43-,45+,46-,47+,48+,49-,51-,52+/m0/s1

InChIKey

IHYRKUCBNVVLAJ-GYSQFXMXSA-N

Smiles

C[C@H]1/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H](C[C@H]2[C@@H]([C@H](C[C@](O2)(C[C@H](C[C@H]([C@@H](CC[C@H](C[C@H](CC(=O)O[C@H]([C@@H]([C@@H]1O)C)C)O)O)O)O)O)O)O)C(=O)NCCCN(C)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O