2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid

Base Information Edit

Chemical Name:2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid
CAS No.:7125-76-0
Molecular Formula:C20H24 N2 O5
Molecular Weight:372.421
Hs Code.:
European Community (EC) Number:230-425-9
Wikipedia:Codoxime
NCI Thesaurus Code:C169860
ChEMBL ID:CHEMBL2107300
Mol file:7125-76-0.mol

2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid

Synonyms:CODOXIME;IDS-NC-006;SCHEMBL636103;CHEMBL2107300

This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of 2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid Edit

Chemical Property:

Vapor Pressure:1.46E-13mmHg at 25°C
Boiling Point:564.1°C at 760 mmHg
PKA:2.97±0.10(Predicted)
Flash Point:295°C
PSA：80.59000
Density:1.51g/cm³
LogP:1.75930
XLogP3:0.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:372.16852187
Heavy Atom Count:27
Complexity:654

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1CCC23C4C1CC5=C2C(=C(C=C5)OC)OC3C(=NOCC(=O)O)CC4
Isomeric SMILES:CN1CC[C@]23[C@@H]4[C@H]1CC5=C2C(=C(C=C5)OC)O[C@H]3/C(=N/OCC(=O)O)/CC4

Technology Process of 2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid

There total 4 articles about 2-[(E)-[(4R,4aR,7aR,12bS)-9-methoxy-3-methyl-1,2,4,4a,5,6,7a,13-octahydro-4,12-methanobenzofuro[3,2-e]isoquinolin-7-ylidene]amino]oxyacetic acid 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: 97.0%