Cas no 144490-63-1 (19-Epi FK-506)

19-Epi FK-506 structure
19-Epi FK-506 structure
Product Name:19-Epi FK-506
CAS No:144490-63-1
MF:C44H69NO12
MW:804.018174886703
CID:1059353
PubChem ID:5353987
Update Time:2025-04-20

19-Epi FK-506 Chemical and Physical Properties

Names and Identifiers

    • 19-Epi FK-506
    • 19-Epi FK-506 Discontinued
    • 19-Epi FK-506 Discontinued
    • Tacrolimus Impurity 6
    • Tacrolimus 19-epimer
    • TACROLIMUS MONOHYDRATE IMPURITY G [EP IMPURITY]
    • TACROLIMUS 19-EPIMER [USP IMPURITY]
    • 144490-63-1
    • CHEBI:94694
    • (1S,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
    • Tacrolimus monohydrate impurity G [EP]
    • UNII-CN64Z1Q9FN
    • Tacrolimus anhydrous 19-epimer
    • BRD-K65261396-002-01-3
    • Tacrolimus compound II [EP]
    • CN64Z1Q9FN
    • TACROLIMUS COMPOUND II [EP IMPURITY]
    • 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
    • InChI Key： QJJXYPPXXYFBGM-UHFFFAOYSA-N
    • SMILES： COC1C(O)CCC(C=C(C2C(C)C(O)CC(=O)C(CC=C)C=C(C)CC(C)CC(OC)C3C(OC)CC(C(O3)(O)C(=O)C(=O)N3C(CCCC3)C(=O)O2)C)C)C1

Computed Properties

  • Exact Mass: 803.48197664g/mol
  • Monoisotopic Mass: 803.48197664g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 57
  • Rotatable Bond Count: 7
  • Complexity: 1480
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 14
  • Defined Bond Stereocenter Count: 2
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 178?2

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