DOXYCYCLINE HYCLATE

Search structure
Trade Names:
Synonyms:
Status: Approved (1967)
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 19XTS3T51U

Structure
InChI Key JRNIHERUNQWMMW-WBYAVNBMSA-N
Smile CCO.C[C@H]1c2cccc(O)c2C(=O)C2=C(O)[C@]3(O)C(=O)C(C(N)=O)=C(O)[C@@H](N(C)C)[C@@H]3[C@@H](O)[C@@H]21.Cl.O
InChI
InChI=1S/C22H24N2O8.C2H6O.ClH.H2O/c1-7-8-5-4-6-9(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;;/h4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);3H,2H2,1H3;1H;1H2/t7-,10+,14+,15-,17-,22-;;;/m0.../s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C46H58Cl2N4O18
Molecular Weight 1025.89
AlogP -0.35
Hydrogen Bond Acceptor 9.0
Hydrogen Bond Donor 6.0
Number of Rotational Bond 2.0
Polar Surface Area 181.62
Molecular species ACID
Aromatic Rings 1.0
Heavy Atoms 32.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Bacterial 70S ribosome inhibitor PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Periodontitis 3 D010518 ClinicalTrials
Chlamydia Infections 3 D002690 ClinicalTrials
Rosacea 3 D012393 ClinicalTrials
Mucositis 2 D052016 ClinicalTrials
Telangiectasia, Hereditary Hemorrhagic 2 D013683 ClinicalTrials
Macular Degeneration 2 D008268 ClinicalTrials
Sexually Transmitted Diseases, Bacterial 2 D015231 ClinicalTrials
Pelvic Inflammatory Disease 1 D000292 ClinicalTrials
Tennis Elbow 1 D013716 ClinicalTrials

Related Entries

Scaffolds

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Gastrointestinal disorders
14.19
Immune system disorders
12.16
General disorders and administration site conditions
11.67
Skin and subcutaneous tissue disorders
10.54
Nervous system disorders
8.34
Injury, poisoning and procedural complications
5.4
Psychiatric disorders
4.78
Vascular disorders
4.07
Respiratory, thoracic and mediastinal disorders
4.05
Cardiac disorders
3.73
Musculoskeletal and connective tissue disorders
3.25
Infections and infestations
3.05
Investigations
2.37
Eye disorders
2.24

Cross References

Resources Reference
ChEBI 34730
ChEMBL CHEMBL3989740
EPA CompTox DTXSID4041020
FDA SRS 19XTS3T51U
KEGG C06973
PDB DXT
SureChEMBL SCHEMBL40929
ZINC ZINC16052277
CONTENTS