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Penimepicycline

Penimepicycline also known as mepicycline penicillinate is  the phenoxymethylpenicillinate salt of the tetracycline antibiotic pipacycline.

Therapeutic use

Dosage and Administration

 

Toxicology

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 342mg/kg (342mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
mouse LD50 oral 3gm/kg (3000mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
mouse LD50 subcutaneous 1096mg/kg (1096mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 intravenous 345mg/kg (345mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 oral 3990mg/kg (3990mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.
rat LD50 subcutaneous 1550mg/kg (1550mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA Gendai no Rinsho. Vol. 2, Pg. 26, 1968.

 

Pharmacokinetic

Mechanism of Action

Microbiology

 

 


Medicinal Chemistry

CAS number: 4599-60-4    EINECS:

Molecular Formula:  C29H38N4O9.C16H18N2O5S

Average mass: 937.022888 Da

Monoisotopic mass: 936.357544 Da

Systematic name: (4S,4aS,6S,12aS)-4-dimethylamino-3,6,10,12,12a-pentahydroxy-N-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-6-methyl-1,11-dioxo-4,4a,5,5a-tetrahydrotetracene-2-carboxamide; (2S,5R,6R)-3,3-dimethyl-7-oxo-6-[(2-phenoxyacetyl)amino]-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid

SMILES: c1ccc2c(c1O)C(=O)C1=C([C@]3([C@@H](C[C@@H]1[C@@]2(O)C)[C@@H](C(=C(C3=O)C(=O)NCN1CCN(CC1)CCO)O)N(C)C)O)O.C1(=O)[C@@H](NC(=O)COc2ccccc2)[C@@H]2N1[C@H](C(S2)(C)C)C(=O)O

Std. InChI: 1S/C29H38N4O9.C16H18N2O5S/c1-28(41)15-5-4-6-18(35)19(15)23(36)20-16(28)13-17-22(31(2)3)24(37)21(26(39)29(17,42)25(20)38)27(40)30-14-33-9-7-32(8-10-33)11-12-34;1-16(2)12(15(21)22)18-13(20)11(14(18)24-16)17-10(19)8-23-9-6-4-3-5-7-9/h4-6,16-17,22,34-35,37-38,41-42H,7-14H2,1-3H3,(H,30,40);3-7,11-12,14H,8H2,1-2H3,(H,17,19)(H,21,22)/t16-,17-,22-,28+,29-;11-,12+,14-/m01/s1

ACD/LogP: 0.445 # of Rule of 5 Violations: 3
ACD/LogD (pH 5.5):   ACD/LogD (pH 7.4):  
ACD/BCF (pH 5.5):   ACD/BCF (pH 7.4):  
ACD/KOC (pH 5.5):   ACD/KOC (pH 7.4):  
#H bond acceptors: 20 #H bond donors: 9
#Freely Rotating Bonds: 17 Polar Surface Area: 315.58 Å2
Index of Refraction:   Molar Refractivity: cm3
Molar Volume: cm3 Polarizability: 10-24cm3
Surface Tension: dyne/cm Density: g/cm3
Flash Point: 692.3 C Enthalpy of Vaporization: 190.15 kJ/mol
Boiling Point: 1221.1 C at 760 mmHg Vapour Pressure: 0 mmHg at 25C

 

 

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