doxycycline (vibramycin) Report issue

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

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Chemistry

Mol. Mass

1025.89

ALogP

-0.35

Rule of 5

No

Rule of 3

No
Details
  • SMILES: O.Cl.Cl.CCO.C[C@@H]1[C@H]2[C@H](O)[C@H]3[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]3(O)C(=C2C(=O)c4c(O)cccc14)O)O.C[C@@H]5[C@H]6[C@H](O)[C@H]7[C@H](N(C)C)C(=C(C(=O)N)C(=O)[C@@]7(O)C(=C6C(=O)c8c(O)cccc58)O)O
  • InChIKey: HALQELOKLVRWRI-VDBOFHIQSA-N
    InChI=1S/2C22H24N2O8.C2H6O.2ClH.H2O/c2*1-7-8-5-4-6-9(25)11(8)16(26)12-10(7)17(27)14-15(24(2)3)18(28)13(21(23)31)20(30)22(14,32)19(12)29;1-2-3;;;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;2*1H;1H2/t2*7-,10+,14+,15-,17-,22-;;;;/m00..../s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL3989740   ChEMBL
doxycycline hyclate *

CHEMBL1200567   ChEMBL
doxycycline hyclate

CHEMBL1200699   ChEMBL
doxycycline

CHEMBL1256723   ChEMBL
doxycycline hydrochloride

CHEMBL1433   ChEMBL
doxycycline

CHEMBL2106418   ChEMBL
doxycycline fosfatex

CHEMBL2364574   ChEMBL
doxycycline calcium

N12000U13O   NCATS
doxycycline *

Doxycycline   Wikipedia

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