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Carbenicillin disodium

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Description
Carbenicillin inhibits the cell-wall synthesis (peptidoglycan cross-linking) by inactivating transpeptidase on the inner surface of the bacterial cell membrane.
CAS Number
4800-94-6
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
422.36
Molecular Formula
C17H16N2Na2O6S
Notes
Research use only, not for human use.
Receptor
Cell wall

Chemical Information

Carbenicillin Disodium

Carbenicillin disodium is an organic sodium salt. It contains a carbenicillin(2-).

CAS Number4800-94-6
PubChem CID20933
IUPAC Namedisodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Molecular FormulaC17H16N2Na2O6S
Molecular Weight422.4
Topological Polar Surface Area155
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity634
SMILES
CC1([C@@H](N2[C@H](S1)[C@@H](C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]
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
InChIKey
RTYJTGSCYUUYAL-YCAHSCEMSA-L
Chemical Structure
2D Structure
2D structure of Carbenicillin Disodium
CAS: 4800-94-6
CID: 20933
Formula: C17H16N2Na2O6S
MW: 422.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight422.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count3
Exact Mass422.05244597
Monoisotopic Mass422.05244597
Topological Polar Surface Area155 Ų
Heavy Atom Count28
Formal Charge0
Complexity634
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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