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Substance Name: ABT-281
RN: 148147-65-3
UNII: VE47C8J10O
InChIKey: HIEKJRVYXXINKH-ADVKXBNGSA-N

Note

  • Ascomycin analog.

Molecular Formula

  • C44-H69-N5-O11

Molecular Weight

  • 844.0531
 
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Names and Synonyms

Name of Substance

  • ABT-281

Synonyms

  • A-86281
  • ABT-281
  • Ascrolimus
  • UNII-VE47C8J10O

Registry Numbers

CAS Registry Number

  • 148147-65-3

FDA UNII

  • VE47C8J10O

System Generated Number

  • 0148147653

Structure Descriptors

InChI

1S/C44H69N5O11/c1-10-31-18-25(2)17-26(3)19-37(57-8)40-38(58-9)21-28(5)44(55,60-40)41(52)42(53)48-16-12-11-13-33(48)43(54)59-39(29(6)34(50)23-35(31)51)27(4)20-30-14-15-32(36(22-30)56-7)49-24-45-46-47-49/h18,20,24,26,28-34,36-40,50,55H,10-17,19,21-23H2,1-9H3/b25-18+,27-20+/t26-,28+,29+,30-,31+,32-,33-,34-,36+,37-,38-,39+,40+,44+/m0/s1

InChIKey

HIEKJRVYXXINKH-ADVKXBNGSA-N

Smiles

CC[C@@H]1\C=C(/C)\C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@H](C)C[C@@H]2OC)C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@H](C)[C@@H](O)CC1=O)\C(=C\[C@@H]4CC[C@@H]([C@@H](C4)OC)n5cnnn5)\C