demeclocycline hydrochloride (declomycin) Report issue

Small molecule Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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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]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@H](O)[C@H]3C[C@@H]12
  • 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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