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Substance Name: Hapalosin
RN: 159542-04-8
InChIKey: NJNAHFYVTBZQHU-LFFUDGMSSA-N

Note

  • Cyclodepsipeptide; reverses multidrug resistance.

Molecular Formula

  • C28-H43-N-O6

Molecular Weight

  • 489.649
 
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Names and Synonyms

Name of Substance

  • Hapalosin

Systematic Name

  • 1,9-Dioxa-4-azacyclododecane-3,8,12-trione, 10-heptyl-6-hydroxy-4,11-dimethyl-2-(1-methylethyl)-5-(phenylmethyl)-, (2S-(2R*,5R*,6S*,10S*,11R*))-

Registry Numbers

CAS Registry Number

  • 159542-04-8

System Generated Number

  • 0159542048

Structure Descriptors

InChI

1S/C28H43NO6/c1-6-7-8-9-13-16-24-20(4)28(33)35-26(19(2)3)27(32)29(5)22(23(30)18-25(31)34-24)17-21-14-11-10-12-15-21/h10-12,14-15,19-20,22-24,26,30H,6-9,13,16-18H2,1-5H3/t20-,22-,23+,24+,26-/m0/s1

InChIKey

NJNAHFYVTBZQHU-LFFUDGMSSA-N

Smiles

O1[C@H](C(N([C@H]([C@@H](CC(O[C@@H]([C@@H](C1=O)C)CCCCCCC)=O)O)Cc1ccccc1)C)=O)C(C)C