| CAS Number | 251451-30-6 |
| Catalog Number | AG002QMF(AGN-PC-04Y2DA) |
| Chemical Name | Zolmitriptan N-Oxide |
| IUPAC Name | N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine oxide |
| InChI | InChI=1S/C16H21N3O3/c1-19(2,21)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-22-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20) |
| InChI Key | GZYCQRZFJIZOKU-UHFFFAOYSA-N |
| MDL Number | MFCD09952300 |
| Molecular Formula | C16H21N3O3 |
| Molecular Weight | 303.3562 |
| SMILES | C[N+](C)([O-])CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12 |
| Synonyms | Zolmitriptan N-Oxide,
251451-30-6,
CTK8F0403,
DTXSID00438344,
AKOS030255659,
RT-016346,
FT-0675920,
J-015837,
(4S)-4-[[3-[2-(Dimethyloxidoamino)ethyl]-1H-indol-5-yl]methyl-2-oxazolidinone,
UNII-22Y9Y8XC4U,
CID10335139,
1652W92,
2-Oxazolidinone, 4-((3-(2-(dimethyloxidoamino)ethyl)-1H-indol-5-yl)methyl)-, (4S)-,
N,N-dimethyl-2-[5-[(2-oxo-1,3-oxazolidin-4-yl)methyl]-1H-indol-3-yl]ethanamine Oxide,
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| Complexity | 415 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 303.158g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 303.362g/mol |
| Monoisotopic Mass | 303.158g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 72.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number