Oracefal

Base Information

Chemical Name:Oracefal
CAS No.:1181570-19-3
Molecular Formula:C₁₆H₁₇N₃O₅S
Molecular Weight:363.394
Hs Code.:
DSSTox Substance ID:DTXSID90860610
ChEMBL ID:CHEMBL1555813

Synonyms:Oracefal;7-[[2-amino-2-(4-hydroxyphenyl)acetyl]amino]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;1181570-19-3;Cephadroxyl;4-Hydroxycephalexin;Cefadroxil (anhydrous);CHEMBL1555813;SCHEMBL13698957;DTXSID90860610;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R-(6-alpha,7-beta(R*)))-;NCGC00094609-01;NCGC00094609-02;AS-13773;S578;LS-149956;FT-0603067;FT-0623527;EN300-23549743;5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 7-((amino(4-hydroxyphenyl)acetyl)amino)-3-methyl-8-oxo-, (6R-(6alpha,7beta(R*)))-;7-[2-Amino(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid;7-[2-amino-2-(4-hydroxyphenyl)acetamido]-3-methyl-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid

Suppliers and Price of Oracefal

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
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Total 0 raw suppliers

Chemical Property of Oracefal

Chemical Property:

XLogP3:-2.1
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:363.08889182
Heavy Atom Count:25
Complexity:629

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(N2C(C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)N)SC1)C(=O)O

Technology Process of Oracefal

There total 1 articles about Oracefal 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:

: 1181570-19-3,144790-28-3
7-(α-amino-4-hydroxyphenylacetamido)-3-methyl-ceph-3-em-4-carboxylic acid

Guidance literature:: /BRN= 615092/,/BRN= 513130/,Diphenylphosphorsaeure Azid,Triethylamin,DMF;

Reference yield:

: C₉H₁₂INO₅S

: 1181570-19-3,144790-28-3
7-(α-amino-4-hydroxyphenylacetamido)-3-methyl-ceph-3-em-4-carboxylic acid

: 5-thia-1-aza-bicyclo[4,2,0]octane-2-ene-2-carboxylic acid, 7-[[amino(4-hydroxyphenyl)-acetyl]amino]-8-oxo-, [[[3,3-dimethyl-4,4-dioxy-7-oxo-4-thia-1-aza-bicyclo[3,2,0]heptane-2-group]carbonyloxy]oxy] methyl ester hydrochloride

Guidance literature:: 7-(α-amino-4-hydroxyphenylacetamido)-3-methyl-ceph-3-em-4-carboxylic acid; With 1,8-diazabicyclo[5.4.0]undec-7-ene; In N,N-dimethyl-formamide; at -20 ℃;

C₉H₁₂INO₅S; In N,N-dimethyl-formamide; at -20 ℃; for 0.5h;

With hydrogenchloride; In ethyl acetate; N,N-dimethyl-formamide; pH=2 - 3; Product distribution / selectivity;