DOXYCYCLINE CALCIUM

Search structure
Trade Names:
Synonyms:
Status: Approved (1974)
Entry Type: Small molecule
Molecule Category: Salt
UNII: 8ZL07I20SB
Parent Compound: DOXYCYCLINE

Structure
InChI Key GJPGCACMCURAKH-YQCFNCLSSA-L
Smile 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.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.[Ca+2]
InChI
InChI=1S/2C22H24N2O8.Ca/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;/h2*4-7,10,14-15,17,25,27-29,32H,1-3H3,(H2,23,31);/q;;+2/p-2/t2*7-,10+,14+,15-,17-,22-;/m00./s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C44H46CaN4O16
Molecular Weight 926.94
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 Matrix metalloproteinase 13 inhibitor PubMed PubMed PubMed DailyMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Osteomyelitis 0 D010019 ClinicalTrials

Related Entries

Scaffolds

Parent

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
Immune system disorders
44.73
Gastrointestinal disorders
10.77
General disorders and administration site conditions
9.37
Skin and subcutaneous tissue disorders
6.79
Nervous system disorders
4.92
Musculoskeletal and connective tissue disorders
3.75
Injury, poisoning and procedural complications
3.51
Respiratory, thoracic and mediastinal disorders
3.04
Vascular disorders
2.58
Psychiatric disorders
2.34

Cross References

Resources Reference
ChEMBL CHEMBL2364574
FDA SRS 8ZL07I20SB
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