OXYTETRACYCLINE HYDROCHLORIDE

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Trade Names
Synonyms
Status
Molecule Category Salt-form
UNII 4U7K4N52ZM
EPA CompTox DTXSID5021097
Parent Compound: OXYTETRACYCLINE

Structure

InChI Key UBDNTYUBJLXUNN-IFLJXUKPSA-N
Smiles CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3[C@H](O)[C@@H]12.Cl
InChI
InChI=1S/C22H24N2O9.ClH/c1-21(32)7-5-4-6-8(25)9(7)15(26)10-12(21)17(28)13-14(24(2)3)16(27)11(20(23)31)19(30)22(13,33)18(10)29;/h4-6,12-14,17,25,27-29,32-33H,1-3H3,(H2,23,31);1H/t12-,13-,14+,17+,21-,22+;/m1./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25ClN2O9
Molecular Weight 496.9
AlogP -1.24
Hydrogen Bond Acceptor 10.0
Hydrogen Bond Donor 7.0
Number of Rotational Bond 2.0
Polar Surface Area 201.85
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Bacterial 70S ribosome inhibitor INHIBITOR KEGG

Cross References

Resources Reference
ChEBI 31953
ChEMBL CHEMBL1607480
FDA SRS 4U7K4N52ZM
KEGG C13055
PDB OTC
SureChEMBL SCHEMBL124996
ZINC ZINC18202350
CONTENTS