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Substance Name: delta23-FK-506
RN: 104987-16-8
UNII: LOS6YV3B9N
InChIKey: PLHJNIVKYISEQW-ADGUVUBISA-N

Molecular Formula

  • C44-H67-N-O11

Molecular Weight

  • 786.0093
 
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Names and Synonyms

Name of Substance

  • delta23-FK-506

Synonyms

  • 23,24-Anhydro tacrolimus
  • delta23-FK-506
  • Tacrolimus diene
  • Tacrolimus impurity, tacrolimus diene- [USP]
  • UNII-LOS6YV3B9N

Registry Numbers

CAS Registry Number

  • 104987-16-8

FDA UNII

  • LOS6YV3B9N

System Generated Number

  • 0104987168

Structure Descriptors

InChI

InChI=1S/C44H67NO11/c1-10-13-32-21-26(2)20-27(3)22-37(53-8)40-38(54-9)24-30(6)44(51,56-40)41(48)42(49)45-19-12-11-14-33(45)43(50)55-39(28(4)15-17-34(32)46)29(5)23-31-16-18-35(47)36(25-31)52-7/h10,15,17,21,23,27-28,30-33,35-40,47,51H,1,11-14,16,18-20,22,24-25H2,2-9H3/b17-15+,26-21+,29-23+/t27-,28+,30+,31-,32+,33-,35+,36+,37-,38-,39-,40+,44+/m0/s1

InChIKey

PLHJNIVKYISEQW-ADGUVUBISA-N

Smiles

CO[C@@H]1C[C@@H](CC[C@H]1O)\C=C(/C)\[C@H]2OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]4(O)O[C@H]([C@H](C[C@@H](C)C\C(=C\[C@@H](CC=C)C(=O)\C=C\[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC