Oxytetracycline hydrochlorideProduct ingredient for Oxytetracycline

Name
Oxytetracycline hydrochloride
Drug Entry
Oxytetracycline

A tetracycline analog isolated from the actinomycete streptomyces rimosus and used in a wide variety of clinical conditions.

Accession Number
DBSALT000645
Structure
Synonyms
Oxytetracycline HCl
UNII
4U7K4N52ZM
CAS Number
2058-46-0
Weight
Average: 496.9
Monoisotopic: 496.1248581
Chemical Formula
C22H25ClN2O9
InChI Key
UBDNTYUBJLXUNN-IFLJXUKPSA-N
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
IUPAC Name
(4S,4aR,5S,5aR,6S,12aS)-4-(dimethylamino)-3,5,6,10,12,12a-hexahydroxy-6-methyl-1,11-dioxo-1,4,4a,5,5a,6,11,12a-octahydrotetracene-2-carboxamide hydrochloride
SMILES
Cl.[H][C@@]12[C@@H](O)[C@@]3([H])C(C(=O)C4=C(C=CC=C4O)[C@@]3(C)O)=C(O)[C@]1(O)C(=O)C(C(N)=O)=C(O)[C@H]2N(C)C
KEGG Drug
D01596
KEGG Compound
C13055
PubChem Compound
54680782
ChemSpider
10482178
ChEBI
31953
ChEMBL
CHEMBL1607480
Wikipedia
Oxytetracycline
Predicted Properties
PropertyValueSource
Water Solubility1.4 mg/mLALOGPS
logP-0.99ALOGPS
logP-4.5Chemaxon
logS-2.5ALOGPS
pKa (Strongest Acidic)3.18Chemaxon
pKa (Strongest Basic)8.29Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count10Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area201.85 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity115.4 m3·mol-1Chemaxon
Polarizability43.22 Å3Chemaxon
Number of Rings4Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon