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Substance Name: Tacrolimus anhydrous 8-epimer
RN: 129212-35-7
UNII: 294O3172M2
InChIKey: QJJXYPPXXYFBGM-NCGCDJFJSA-N

Molecular Formula

  • C44-H69-N-O12

Molecular Weight

  • 804.0182
 
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Names and Synonyms

Name of Substance

  • Tacrolimus anhydrous 8-epimer

Synonyms

  • 8-epi-Tacrolimus
  • 8-Epitacrolimus
  • Tacrolimus 8-epimer [USP-RS]
  • Tacrolimus anhydrous 8-epimer
  • Tacrolimus monohydrate impurity D [EP]
  • UNII-294O3172M2

Registry Numbers

CAS Registry Number

  • 129212-35-7

FDA UNII

  • 294O3172M2

System Generated Number

  • 0129212357

Structure Descriptors

InChI

1S/C44H69NO12/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/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31-,32-,33+,34-,36+,37-,38-,39+,40+,44+/m0/s1

InChIKey

QJJXYPPXXYFBGM-NCGCDJFJSA-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@H](O)[C@H]2C)\C)OC)[C@H](C[C@H]4C)OC