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Substance Name: Dihydro-FK-506
RN: 104987-30-6
UNII: 0SDH06DWVW
InChIKey: RQYGKZGKXDOUEO-LFZNUXCKSA-N

Molecular Formula

  • C44-H71-N-O12

Molecular Weight

  • 806.0399
 
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Names and Synonyms

Name of Substance

  • Dihydro-FK-506

Synonyms

  • Dihydro-FK-506
  • Dihydro-fk-506, (-)-
  • Tacrolimus impurity, tacrolimus 8-propyl analog- [USP]
  • Tsukubamycin B
  • UNII-0SDH06DWVW

Registry Numbers

CAS Registry Number

  • 104987-30-6

FDA UNII

  • 0SDH06DWVW

System Generated Number

  • 0104987306

Structure Descriptors

InChI

InChI=1S/C44H71NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h19,21,26,28-34,36-40,46-47,52H,10-18,20,22-24H2,1-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

InChIKey

RQYGKZGKXDOUEO-LFZNUXCKSA-N

Smiles

CCC[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](O)[C@@H](C4)OC)\C