Basic information
- CAS
53882-13-6- Standard SMILES
CCOC(=O)C(=O)Nc1cc(C#N)cc(NC(=O)C(=O)OCC)c1Cl- InChIKey
BNTAPIYHWPPFBW-UHFFFAOYSA-N- Molecular formula
- C15H14ClN3O6
- Average molar mass
- 367.74 g/mol
- Monoisotopic mass
- 367.0571129
Overview
inhibits anaphylactic reactions; structure
Names & identifiers
- Preferred name
- Acetic acid, 2,2'-((2-chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxo-, diethyl ester
- IUPAC
- ethyl 2-[2-chloro-5-cyano-3-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetate
- English name
- lodoxamide ethyl
- Molecular formula
- C15H14ClN3O6
- Molecular weight
- 367.74
Names & synonyms
LODOXAMIDE ETHYL53882-13-6Lodoxamide Diethyl EsterU-42718TQY1B8145BDiethyl N,N'-(2-chloro-5-cyano-m-phenylene)dioxamateDTXSID902021372,2'-((2-Chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxoacetic acid), diethyl esterAcetic acid, 2,2'-((2-chloro-5-cyano-1,3-phenylene)diimino)bis(2-oxo-, diethyl esterRefChem:914962DTXCID90124628Lodoxamide ethyl [USAN]
Show more names
Lodoxamide lmpurity 13ethyl (2-chloro-5-cyano-3-{[ethoxy(oxo)acetyl]amino}anilino)(oxo)acetate2,2'-[(2-Chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxoacetic acid]diethyl esterAcetic acid, 2,2'-[(2-chloro-5-cyano-1,3-phenylene)diimino]bis[2-oxo-, diethyl ester (9CI)
U-42,718ethyl 2-[2-chloro-5-cyano-3-[(2-ethoxy-2-oxoacetyl)amino]anilino]-2-oxoacetateLodoxamide ethyl (USAN)Lodoxamide diethylUNII-TQY1B8145BDiethyl-LodoxamideU42718U 42,718
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 545
Physicochemical properties
- Melting point
- 177 · 177-179°
- solubility
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- form
- Solid
- color
- White
- FDA UNII
- 1 B8145B · TQY1B8145B
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Agents that are used to treat allergic reactions. Most of these drugs act by preventing the release of inflammatory mediators or inhibiting the actions of released mediators on their target cells. (From AMA Drug Evaluations Annual, 1994, p475)
Applications
UsesAnti-allergic; anti-asthmatic.
UsesLodoxamide Diethyl Ester is an intermediate in the synthesis of Lodoxamide (L469365), an antiallergic drug that acts as a mast cell stabilizer.
Suppliers9 total
广州佳途科技股份有限公司81960175-877 18933936954 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
武汉开诺医药科技有限公司18040571231/1402788087
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
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Compound notes
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