Cas no 43168-51-0 (4-Epi Minocycline (>80%, contains unidentified salts))

4-Epi Minocycline (>80%, contains unidentified salts) structure
43168-51-0 structure
Product Name:4-Epi Minocycline (>80%, contains unidentified salts)
CAS No:43168-51-0
MF:C23H27N3O7
MW:457.47638630867
CID:839616
PubChem ID:54749602
Update Time:2025-04-19

4-Epi Minocycline (>80%, contains unidentified salts) Chemical and Physical Properties

Names and Identifiers

    • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-te trahydroxy-1,11-dioxo-, [4R-(4a,4ab,5ab,12ab)]-
    • 2-Naphthacenecarboxamide,4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tet...
    • 4-EPI MINOCYCLINE
    • 4-BENZOFURAZANAMINE,N,N-DIMETHYL-7-NITRO-,1-OXIDE
    • 7-Dimethylamino-4-nitro-benzofuroxan
    • 7-Dimethylamino-6-demethyl-6-deoxytetracyclin,Minocyclin
    • minocycline
    • 4-Epi Minocycline (>80%, contains unidentified salts)
    • 2-Naphthacenecarboxamide, 4,7-bis(dimethylamino)-1,4,4a,5,5a,6,11,12a-octahydro-3,10,12,12a-tetrahydroxy-1,11-dioxo-, (4R,4aS,5aR,12aS)-
    • 43168-51-0
    • (4R,4As,5aR,12aR)-4,7-bis(dimethylamino)-1,10,11,12a-tetrahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide
    • NS00000571
    • PD118566
    • 43EA3Q2JV4
    • SCHEMBL13520109
    • 4-Epiminocycline
    • PD119951
    • UNII-43EA3Q2JV4
    • Epiminocycline
    • Inchi: 1S/C23H27N3O7/c1-25(2)12-5-6-13(27)15-10(12)7-9-8-11-17(26(3)4)19(29)16(22(24)32)21(31)23(11,33)20(30)14(9)18(15)28/h5-6,9,11,17,27-28,31,33H,7-8H2,1-4H3,(H2,24,32)/t9-,11-,17+,23-/m0/s1
    • InChI Key: FFTVPQUHLQBXQZ-MJPDVNATSA-N
    • SMILES: O[C@@]12C(=C(C(N)=O)C([C@@H]([C@@H]1C[C@@H]1CC3C(=CC=C(C=3C(=C1C2=O)O)O)N(C)C)N(C)C)=O)O

Computed Properties

  • Exact Mass: 457.18500
  • Monoisotopic Mass: 457.18490021g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 5
  • Hydrogen Bond Acceptor Count: 9
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 3
  • Complexity: 971
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 4
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.6
  • Topological Polar Surface Area: 165?2

Experimental Properties

  • Melting Point: >196°C (dec)
  • PSA: 164.63000
  • LogP: 0.88690

4-Epi Minocycline (>80%, contains unidentified salts) Security Information

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