Cephradine monohydrate

C₁₆H₂₁N₃O₅SCAS 75975-70-1367.42 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Primary amine Sulfide

Properties

Molecular formula: C₁₆H₂₁N₃O₅S
Molar mass: 367.42 g/mol
Exact mass: 367.1202 Da
logP: -0.48Crippen estimate
Polar surface area: 144.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4
Stereocentres: R, R, Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number

75975-70-1

SMILES

CC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)[C@@H](C3=CCC=CC3)N)SC1)C(=O)O.O

InChIKey

VHNPSPMQGXQSET-CYJZLJNKSA-N

InChI

InChI=1S/C16H19N3O4S.H2O/c1-8-7-24-15-11(14(21)19(15)12(8)16(22)23)18-13(20)10(17)9-5-3-2-4-6-9;/h2-3,6,10-11,15H,4-5,7,17H2,1H3,(H,18,20)(H,22,23);1H2/t10-,11-,15-;/m1./s1

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Work with Cephradine monohydrate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Cephradine38821-53-3Anhydrous

Similar compounds

Cefroxadine51762-05-174 % similar 4',5'-Dihydrocefradine37051-00-670 % similar Cephalexin monohydrate23325-78-260 % similar Cefadroxil monohydrate66592-87-858 % similar Cephalexin15686-71-256 % similar Cefadroxil50370-12-254 % similar 7-Aminodeacetoxycephalosporanic acid22252-43-349 % similar 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid26395-99-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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