Cefcapene

Base Information

Chemical Name:Cefcapene
CAS No.:135889-00-8
Molecular Formula:C₁₇H₁₉N₅O₆S₂
Molecular Weight:453.5
Hs Code.:2942000000
UNII:4D5D3422MW
DSSTox Substance ID:DTXSID201027544
Nikkaji Number:J402.887B
Wikipedia:Cefcapene
Wikidata:Q5057225
NCI Thesaurus Code:C76160
Metabolomics Workbench ID:154267
ChEMBL ID:CHEMBL582912
Mol file:135889-00-8.mol

Synonyms:S 1006;S-1006

Suppliers and Price of Cefcapene

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Cefcapene
25mg
$ 4125.00

American Custom Chemicals Corporation
CEFCAPENE 95.00%
25MG
$ 4908.75

American Custom Chemicals Corporation
CEFCAPENE 95.00%
1MG
$ 925.05

Total 45 raw suppliers

Chemical Property of Cefcapene

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:936°Cat760mmHg
Flash Point:519.9°C
PSA：231.48000
Density:1.63
LogP:1.96290
XLogP3:-0.5
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:8
Exact Mass:453.07767569
Heavy Atom Count:30
Complexity:832

Purity/Quality:

99% ^*data from raw suppliers

Cefcapene ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCC=C(C1=CSC(=N1)N)C(=O)NC2C3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Isomeric SMILES:CC/C=C(/C1=CSC(=N1)N)\C(=O)N[C@H]2[C@@H]3N(C2=O)C(=C(CS3)COC(=O)N)C(=O)O
Uses Cefcapene is a metabolite of Cefcapene Pivoxil (C242550). Antibacterial, orally absorbed cephalosporin.

Technology Process of Cefcapene

There total 3 articles about Cefcapene which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 87.2%

: 105890-09-3
diphenylmethyl 7β-<(Z)-2-(2-tert-butoxycarbonylaminothiazol-4-yl)-2-pentenoylamino>-3-carbamoyloxymethyl-3-cephem-4-carboxylate

: 135889-00-8
cefcapene

Guidance literature:: With aluminium trichloride; In dichloromethane; at -30 ℃; for 0.5h;
DOI:10.7164/antibiotics.47.466

Reference yield:

: (6R,7R)-7-Amino-3-carbamoyloxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid benzhydryl ester; compound with toluene-4-sulfonic acid

: 135889-00-8
cefcapene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) triethylamine, methanesulfonyl chloride, 2.) triethylamine / 1.) CH₂Cl₂, -50 deg C, 2.) CH₂Cl₂, -50 deg C

2: 87.2 percent / AlCl₃ / CH₂Cl₂; various solvent(s) / 0.5 h / -30 °C

With aluminium trichloride; methanesulfonyl chloride; triethylamine; In dichloromethane;
DOI:10.7164/antibiotics.47.466

Reference yield:

: 86978-24-7
(Z)-2-[2-(tert-butoxycarbonylamino)thiazol-4-yl]pent-2-enoic acid

: 135889-00-8
cefcapene

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) triethylamine, methanesulfonyl chloride, 2.) triethylamine / 1.) CH₂Cl₂, -50 deg C, 2.) CH₂Cl₂, -50 deg C

2: 87.2 percent / AlCl₃ / CH₂Cl₂; various solvent(s) / 0.5 h / -30 °C

With aluminium trichloride; methanesulfonyl chloride; triethylamine; In dichloromethane;
DOI:10.7164/antibiotics.47.466