Cefdaloxime

Base Information

Chemical Name:Cefdaloxime
CAS No.:80195-36-4
Deprecated CAS:139949-08-9
Molecular Formula:C₁₄H₁₅N₅O₆S₂
Molecular Weight:413.435
Hs Code.:
UNII:6856HDT30F
DSSTox Substance ID:DTXSID801001097
Wikipedia:Cefdaloxime
NCI Thesaurus Code:C76161
ChEMBL ID:CHEMBL2104469
Mol file:80195-36-4.mol

Synonyms:RU 29246;RU-29246;RU29246

Suppliers and Price of Cefdaloxime

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

American Custom Chemicals Corporation
CEFDALOXIME 95.00%
5MG
$ 501.97

Total 4 raw suppliers

Chemical Property of Cefdaloxime

Chemical Property:

PKA:2.79±0.50(Predicted)
PSA：225.20000
Density:1.922g/cm³
LogP:-0.00310
XLogP3:-1.2
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:6
Exact Mass:413.04637556
Heavy Atom Count:27
Complexity:729

Purity/Quality:

98% ^*data from raw suppliers

CEFDALOXIME 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COCC1=C(N2C(C(C2=O)NC(=O)C(=NO)C3=CSC(=N3)N)SC1)C(=O)O
Isomeric SMILES:COCC1=C(N2[C@@H]([C@@H](C2=O)NC(=O)/C(=N\O)/C3=CSC(=N3)N)SC1)C(=O)O
Uses Cefdaloxime is an orally administered cephalosporin that has activity against Haemophilus influenzae, a bacteria that causes meningitis in humans. Cefdaloxime is also the active metabolite of HR916K, a cephalosporin ester.

Technology Process of Cefdaloxime

There total 4 articles about Cefdaloxime 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:

: 957-68-6
7-Aminocephalosporanic acid

: 80195-36-4
cefdaloxime

Guidance literature:: Multi-step reaction with 2 steps

1: MeSO₃H, CF₃SO₃H / 0.75 h / 13 - 14 °C

With methanesulfonic acid; trifluorormethanesulfonic acid;
DOI:10.1002/jlac.199619961106

Reference yield:

: 80195-78-4
1-iodoethyl 2,2-dimethylpropionate

: 77934-90-8
C₃₅H₃₃N₃O₆S₂

: 2,2-Dimethyl-propionic acid 1-{2-(2-amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetoxy}-ethyl ester

: 80195-36-4
cefdaloxime

: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(E)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Guidance literature:: Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1002/jlac.199619961106

Reference yield:

: 77934-90-8
C₃₅H₃₃N₃O₆S₂

: 24701-69-7
(6R,7R)-7-amino-3-(methoxymethyl)-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

: 80195-36-4
cefdaloxime

: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-3-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(Z)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

: (6R,7R)-7-{2-(2-Amino-thiazol-4-yl)-2-[(E)-hydroxyimino]-acetylamino}-3-methoxymethyl-8-oxo-5-thia-1-aza-bicyclo[4.2.0]oct-2-ene-2-carboxylic acid 1-(2,2-dimethyl-propionyloxy)-ethyl ester

Guidance literature:: Yield given. Multistep reaction. Further byproducts given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1002/jlac.199619961106