Sodium (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((5-(carboxylatomethyl)-

Introduction

CAS No. :	86329-79-5	MDL No. :	MFCD00897059
Formula :	C20H18N6Na2O7S4	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	-
M.W :	628.63	Pubchem ID :	-
Synonyms :	Cefodizime Disodium	Chemical Name :	Sodium (6R,7R)-7-((Z)-2-(2-aminothiazol-4-yl)-2-(methoxyimino)acetamido)-3-(((5-(carboxylatomethyl)-4-methylthiazol-2-yl)thio)methyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate

Physicochemical Properties

Num. heavy atoms :	39
Num. arom. heavy atoms :	10
Fraction Csp3 :	0.35
Num. rotatable bonds :	11
Num. H-bond acceptors :	10.0
Num. H-bond donors :	2.0
Molar Refractivity :	138.54
TPSA :	310.14 Ų

Pharmacokinetics

GI absorption :	Low
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-9.98 cm/s

Lipophilicity

Log Po/w (iLOGP) :	-26.83
Log Po/w (XLOGP3) :	0.22
Log Po/w (WLOGP) :	-2.04
Log Po/w (MLOGP) :	-0.72
Log Po/w (SILICOS-IT) :	2.42
Consensus Log Po/w :	-5.39

Druglikeness

Lipinski :	2.0
Ghose :	None
Veber :	2.0
Egan :	1.0
Muegge :	2.0
Bioavailability Score :	0.17

Water Solubility

Log S (ESOL) :	-3.34
Solubility :	0.287 mg/ml ; 0.000457 mol/l
Class :	Soluble
Log S (Ali) :	-6.29
Solubility :	0.000321 mg/ml ; 0.00000051 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-2.85
Solubility :	0.888 mg/ml ; 0.00141 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	5.27

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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