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Meclocycline

Meclocycline is a tetracycline antibiotic used topically,  it is totally insoluble in water and may cause liver and kidney damage if given systemically.

Therapeutic use

Dosage and Administration

 

Toxicology

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 425mg/kg (425mg/kg)   Giornale Italiano di Chemioterapia. Italian Journal of Chemotherapy. Vol. 17, Pg. 276, 1970.
mouse LD50 oral 5gm/kg (5000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1022, 1972.
 
rat LD50 oral 2gm/kg (2000mg/kg)   Arzneimittel-Forschung. Drug Research. Vol. 22, Pg. 1022, 1972.
 

 

Pharmacokinetic

 

 


Medicinal Chemistry

CAS number: 2013-58-3   EINECS: 217-938-3

Molecular Formula: C22H21ClN2O8

Average mass: 476.863708 Da

Monoisotopic mass:  476.098633 Da

Systematic name: (2E,4S,4aR,5S,5aR,12aS)-2-[amino(hydroxy)methylene]-7-chloro-4-(dimethylamino)-5,10,11,12a-tetrahydroxy-6-methylene-4a,5a,6,12a-tetrahydrotetracene-1,3,12(2H,4H,5H)-trione

SMILES: C=1([C@@]2([C@H]([C@@H](C(O)=C(C2=O)C(N)=O)N(C)C)[C@H]([C@@H]2C(c3c(ccc(c3C(C12)=O)O)Cl)=C)O)O)O

Std. InChI: 1S/C22H21ClN2O8/c1-6-9-7(23)4-5-8(26)11(9)16(27)12-10(6)17(28)14-15(25(2)3)18(29)13(21(24)32)20(31)22(14,33)19(12)30/h4-5,10,14-15,17,26,28-30,33H,1H2,2-3H3,(H2,24,32)/t10-,14-,15+,17+,22+/m1/s1

ACD/LogP: 0.038 # of Rule of 5 Violations: 2
ACD/LogD (pH 5.5): -2.49 ACD/LogD (pH 7.4): -3.01
ACD/BCF (pH 5.5): 1.00 ACD/BCF (pH 7.4): 1.00
ACD/KOC (pH 5.5): 1.00 ACD/KOC (pH 7.4): 1.00
#H bond acceptors: 10 #H bond donors: 7
#Freely Rotating Bonds: 7 Polar Surface Area: 181.62 Å2
Index of Refraction: 1.757 Molar Refractivity: 113.425 cm3
Molar Volume: 276.43 cm3 Polarizability: 44.965 10-24cm3
Surface Tension: 102.84700012207 dyne/cm Density: 1.725 g/cm3
Flash Point: 460.001 C Enthalpy of Vaporization: 127.485 kJ/mol
Boiling Point: 837 C at 760 mmHg Vapour Pressure: 0 mmHg at 25C

 

 

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