OXYTETRACYCLINE HYDROCHLORIDE

Search structure
Trade Names:
Synonyms:
Status: Approved (1964)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 4U7K4N52ZM
Parent Compound: OXYTETRACYCLINE

Structure
InChI Key UBDNTYUBJLXUNN-IFLJXUKPSA-N
Smile 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

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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent
Mixture
Mixture

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Blood and lymphatic system disorders
14.59
Investigations
12.68
General disorders and administration site conditions
11.42
Gastrointestinal disorders
8.03
Infections and infestations
8.03
Cardiac disorders
6.77
Respiratory, thoracic and mediastinal disorders
5.92
Injury, poisoning and procedural complications
5.71
Metabolism and nutrition disorders
5.29
Vascular disorders
4.23
Nervous system disorders
2.96
Hepatobiliary disorders
2.75
Skin and subcutaneous tissue disorders
2.75
Musculoskeletal and connective tissue disorders
2.54
Renal and urinary disorders
2.11

Cross References

Resources Reference
ChEBI 31953
ChEMBL CHEMBL1607480
EPA CompTox DTXSID5021097
FDA SRS 4U7K4N52ZM
KEGG C13055
PDB OTC
SureChEMBL SCHEMBL124996
ZINC ZINC18202350
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