Cefroxadine

C₁₆H₁₉N₃O₅SCAS 51762-05-1365.40 g/mol

Open in Covalent MOL file

Alkene Amide Carboxylic acid Ether Lactam Primary amine Sulfide

Properties

Molecular formula: C₁₆H₁₉N₃O₅S
Molar mass: 365.40 g/mol
Exact mass: 365.1045 Da
Melting point: 170 °C (decomposes)
logP: 0.77Crippen estimate
Polar surface area: 125.5 Å²
H-bond donors / acceptors: 3 / 6
Rotatable bonds: 5
Stereocentres: R, R, Rin SMILES atom order

Hazards

Danger

H317 May cause an allergic skin reaction100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled100% of notifiers

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

Precautionary statements

P233, P260, P261, P271, P272, P280, P284, P302+P352, P304+P340, P321, P333+P317, P342+P316, P362+P364, P403, P501

Identifiers

CAS number

51762-05-1

SMILES

COC1=C(C(=O)O)N2C(=O)[C@@H](N=C(O)[C@H](N)C3=CCC=CC3)[C@H]2SC1

InChIKey

RDMOROXKXONCAL-UEKVPHQBSA-N

InChI

InChI=1S/C16H19N3O5S/c1-24-9-7-25-15-11(14(21)19(15)12(9)16(22)23)18-13(20)10(17)8-5-3-2-4-6-8/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

6 names

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-methoxy-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-methoxy-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-methoxy-8-oxo-, (6R,7R)-
(6R,7R)-7-[[(2R)-2-Amino-2-(1,4-cyclohexadien-1-yl)acetyl]amino]-3-methoxy-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid
CGP 9000
Oraspor

Work with Cefroxadine

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

Similar compounds

Cephradine38821-53-377 % similar Cephradine monohydrate75975-70-149 % similar Cefprozil92665-29-744 % similar Cephalexin15686-71-244 % similar Cefadroxil50370-12-243 % similar Cefaclor53994-73-342 % similar Cefadroxil monohydrate66592-87-841 % similar Cefaclor monohydrate70356-03-540 % similar

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

Same formula

Cephalexin monohydrate23325-78-2 Amoxicillin26787-78-0 Biotinyl-4-nitrophenyl ester33755-53-2 Amoxicillin piperazine-2,5-dione94659-47-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook