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Chemistry

Mol. Mass

464.86

ALogP

0.26

Rule of 5

No

Rule of 3

No
Details
  • SMILES: CN(C)[C@H]1[C@@H]2C[C@@H]3[C@H](O)c4c(Cl)ccc(O)c4C(=O)C3=C(O)[C@]2(O)C(=O)C(=C1O)C(=O)N
  • InChIKey: FMTDIUIBLCQGJB-SEYHBJAFSA-N
    InChI=1S/C21H21ClN2O8/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31/h3-4,6-7,14-15,25-26,28-29,32H,5H2,1-2H3,(H2,23,31)/t6-,7-,14-,15-,21-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1591   ChEMBL
demeclocycline *

CHEMBL1200474   ChEMBL
demeclocycline hydrochloride

5R5W9ICI6O   NCATS
demeclocycline *

Demeclocycline   Wikipedia

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