Carbenicillin disodium

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

CAS: 4800-94-6

Molecular Formula	`C17H16N2Na2O6S`
Molecular Weight	422.4 g/mol
Topological Polar Surface Area	155.0 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	7
Rotatable Bonds	3
Exact Mass	422.05246
Heavy Atoms	28
Complexity	634.0

Chemical Identifiers

CAS Number	4800-94-6
SMILES	`CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+]`
InChIKey	`RTYJTGSCYUUYAL-YCAHSCEMSA-L`

📖 Product Overview

Carbenicillin disodium (CAS: 4800-94-6) is a chemical compound with molecular formula C17H16N2Na2O6S and molecular weight 422.4 g/mol. Its IUPAC systematic name is disodium;(2S,5R,6R)-6-[(2-carboxylato-2-phenylacetyl)amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate. Topological Polar Surface Area 155.0 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 7 Rotatable Bonds 3 Exact Mass 422.05246 Heavy Atoms 28 Complexity 634.0 InChI Key: RTYJTGSCYUUYAL-YCAHSCEMSA-L. SMILES: CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=CC=C3)C(=O)[O-])C(=O)[O-])C.[Na+].[Na+].

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