Carbenicillin disodiumProduct ingredient for Carbenicillin

Name

Carbenicillin disodium

Drug Entry

Carbenicillin

Broad-spectrum semisynthetic penicillin derivative used parenterally. It is susceptible to gastric juice and penicillinase and may damage platelet function.

See full entry for Carbenicillin

Accession Number

DBSALT001334

Structure

Similar Structures

Synonyms

Not Available

UNII

9TS4B3H261

CAS Number

4800-94-6

Weight

Average: 422.36
Monoisotopic: 422.05244598

Chemical Formula

C₁₇H₁₆N₂Na₂O₆S

InChI Key

RTYJTGSCYUUYAL-YCAHSCEMSA-L

InChI

InChI=1S/C17H18N2O6S.2Na/c1-17(2)11(16(24)25)19-13(21)10(14(19)26-17)18-12(20)9(15(22)23)8-6-4-3-5-7-8;;/h3-7,9-11,14H,1-2H3,(H,18,20)(H,22,23)(H,24,25);;/q;2*+1/p-2/t9?,10-,11+,14-;;/m1../s1

IUPAC Name

disodium (2S,5R,6R)-6-(2-carboxylato-2-phenylacetamido)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES

[Na+].[Na+].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C(C([O-])=O)C1=CC=CC=C1)C([O-])=O

External Links

KEGG Compound: C13967
ChemSpider: 19694
ChEBI: 34609
ChEMBL: CHEMBL606260
Wikipedia: Carbenicillin

Predicted Properties

Property	Value	Source
Water Solubility	0.4 mg/mL	ALOGPS
logP	1.71	ALOGPS
logP	0.82	Chemaxon
logS	-3	ALOGPS
pKa (Strongest Acidic)	3.11	Chemaxon
pKa (Strongest Basic)	-6.3	Chemaxon
Physiological Charge	-2	Chemaxon
Hydrogen Acceptor Count	6	Chemaxon
Hydrogen Donor Count	1	Chemaxon
Polar Surface Area	129.67 Å²	Chemaxon
Rotatable Bond Count	5	Chemaxon
Refractivity	112.49 m³·mol^-1	Chemaxon
Polarizability	35.15 Å³	Chemaxon
Number of Rings	3	Chemaxon
Bioavailability	1	Chemaxon
Rule of Five	Yes	Chemaxon
Ghose Filter	Yes	Chemaxon
Veber's Rule	No	Chemaxon
MDDR-like Rule	No	Chemaxon

Carbenicillin disodiumProduct ingredient for Carbenicillin

Structure for Carbenicillin disodium (DBSALT001334)