Cephradine

C₁₆H₁₉N₃O₄SCAS 38821-53-3349.41 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Lactam Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₉N₃O₄S
Molar mass: 349.41 g/mol
Exact mass: 349.1096 Da
Melting point: 140 °C
logP: 1.19Crippen estimate
Polar surface area: 116.2 Å²
H-bond donors / acceptors: 3 / 5
Rotatable bonds: 4
Stereocentres: R, R, Rin SMILES atom order

Hazards

Danger

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction97.7% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled97.7% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

38821-53-3

SMILES

CC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)C3=CCC=CC3)[C@H]2SC1

InChIKey

RDLPVSKMFDYCOR-UEKVPHQBSA-N

InChI

InChI=1S/C16H19N3O4S/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)/t10-,11-,15-/m1/s1

Weigh it out

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

Names and synonyms

26 names · show all

5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[[(2R)-2-amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
5-Thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 7-[(amino-1,4-cyclohexadien-1-ylacetyl)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-1,4-cyclohexadien-1-ylacetyl]amino]-3-methyl-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
Cephradin
Cefradine
7-[D-α-Amino-(1,4-cyclohexadienyl)acetamide]-3-desacetoxycephalosphoranic acid
Sefril
Velosef
SQ 11436
Eskacef
Cefro
Cefrag
Cesporan
Dimacef
Ecosporina
Anspor
Celex
Cefradex
Lisacef
Lenzacef
Velocef
Samedrin
Megacef
Easkacef
Cefradin

Work with Cephradine

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.

Cephradine monohydrate75975-70-1Hydrate

Similar compounds

Cefroxadine51762-05-177 % similar Cephalexin15686-71-258 % similar Cefadroxil50370-12-256 % similar Cephalexin monohydrate23325-78-256 % similar Cefadroxil monohydrate66592-87-854 % similar 7-Aminodeacetoxycephalosporanic acid22252-43-352 % similar 7-Amino-3-methyl-8-oxo-5-thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid26395-99-352 % similar 4',5'-Dihydrocefradine37051-00-648 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ampicillin69-53-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook