Cephradine dihydrate

(6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate

CAS: 31828-50-9

Molecular Formula	`C16H23N3O6S`
Molecular Weight	385.4 g/mol
Topological Polar Surface Area	140.0 A2
Hydrogen Bond Donors	5
Hydrogen Bond Acceptors	8
Rotatable Bonds	4
Exact Mass	385.13077
Heavy Atoms	26
Complexity	697.0

Chemical Identifiers

CAS Number	31828-50-9
SMILES	`CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.O.O`
InChIKey	`HBKDHIDYMXXJLI-OEDJVVDHSA-N`

📖 Product Overview

Cephradine dihydrate (CAS: 31828-50-9) is a chemical compound with molecular formula C16H23N3O6S and molecular weight 385.4 g/mol. Its IUPAC systematic name is (6R,7R)-7-[[(2R)-2-amino-2-cyclohexa-1,4-dien-1-ylacetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;dihydrate. Topological Polar Surface Area 140.0 A2 Hydrogen Bond Donors 5 Hydrogen Bond Acceptors 8 Rotatable Bonds 4 Exact Mass 385.13077 Heavy Atoms 26 Complexity 697.0 InChI Key: HBKDHIDYMXXJLI-OEDJVVDHSA-N. SMILES: CC1=C(N2C(C(C2=O)NC(=O)C(C3=CCC=CC3)N)SC1)C(=O)O.O.O.

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