Cefadroxil

C₁₆H₁₇N₃O₅SCAS 50370-12-2363.39 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Phenol Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₇N₃O₅S
Molar mass: 363.39 g/mol
Exact mass: 363.0889 Da
Melting point: 197 °C
logP: 0.99Crippen estimate
Polar surface area: 136.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 4
Stereocentres: R, R, Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 65 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

50370-12-2

SMILES

CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1

InChIKey

BOEGTKLJZSQCCD-UEKVPHQBSA-N

InChI

InChI=1S/C16H17N3O5S/c1-7-6-25-15-11(14(22)19(15)12(7)16(23)24)18-13(21)10(17)8-2-4-9(20)5-3-8/h2-5,10-11,15,20H,6,17H2,1H3,(H,18,21)(H,23,24)/t10-,11-,15-/m1/s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

20 names · show all

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, [6R-[6α,7β(R*)]]-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-amino(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2R)-2-Amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
BL-S 578
Oracefal
Bidocef
S 578
Cephadroxil
D-Cefadroxil
Ultracef
Roxil
Cefadur
Cipadur
Evacef
Neucef
Helicef
Sumacef
Cefadrox
Ibidroxil

Work with Cefadroxil

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.

Cefadroxil monohydrate66592-87-8Hydrate

Similar compounds

Cephalexin15686-71-283 % similar Cephalexin monohydrate23325-78-279 % similar Cefprozil92665-29-775 % similar Cefatrizine51627-14-666 % similar Cefaclor53994-73-364 % similar Cefaclor monohydrate70356-03-561 % similar Cephradine38821-53-356 % similar 7-Aminodeacetoxycephalosporanic acid22252-43-353 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook