(S)-3-(2-dimethylaminoethyl)-5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-2-carboxylic acid

Base Information

• Chemical Name: (S)-3-(2-dimethylaminoethyl)-5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-2-carboxylic acid
• CAS No.: 659738-69-9
• Molecular Formula: C17H21N3O4
• Molecular Weight: 331.371
• UNII: DZ2G9845EY
• Mol file: 659738-69-9.mol

Synonyms:DZ2G9845EY;UNII-DZ2G9845EY;Zolmitriptan impurity I [EP];(S)-3-(2-dimethylaminoethyl)-5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-2-carboxylic acid;659738-69-9;3-(2-(Dimethylamino)ethyl)-5-(((4S)-2-oxo-4-oxazolidinyl)methyl)-1H-indole-2-carboxylic acid;1H-Indole-2-carboxylic acid, 3-(2-(dimethylamino)ethyl)-5-(((4S)-2-oxo-4-oxazolidinyl)methyl)-;SCHEMBL4087151;PRLUPEADUDNTPI-NSHDSACASA-N;ZOLMITRIPTAN IMPURITY I [EP IMPURITY]

Chemical Property of (S)-3-(2-dimethylaminoethyl)-5-(2-oxo-1,3-oxazolidin-4-ylmethyl)-1H-indol-2-carboxylic acid

Chemical Property:

• PSA: 94.66000
• LogP: 1.94990
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 331.15320616
• Heavy Atom Count: 24
• Complexity: 485

Purity/Quality:

>95% ^*data from raw suppliers

Zolmitriptan-2-carboxylicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC1=C(NC2=C1C=C(C=C2)CC3COC(=O)N3)C(=O)O
• Isomeric SMILES: CN(C)CCC1=C(NC2=C1C=C(C=C2)C[C@H]3COC(=O)N3)C(=O)O
• Uses: Zolmitriptan-2-carboxylic Acid is an impurity of the drug Zolmitriptan (Z639000). Zolmitriptan is a serotonin 5HTID-receptor agonist and used to treat migraine (1,2,3).