| CAS Number | 1796927-05-3 |
| Catalog Number | AG01CCCW(AGN-PC-0WBN16) |
| Chemical Name | 1-Butyl-2-((2,6-dimethylphenyl)carbamoyl)piperidine 1-oxide hydrochloride |
| IUPAC Name | 1-butyl-N-(2,6-dimethylphenyl)-1-oxidopiperidin-1-ium-2-carboxamide;hydrochloride |
| InChI | InChI=1S/C18H28N2O2.ClH/c1-4-5-12-20(22)13-7-6-11-16(20)18(21)19-17-14(2)9-8-10-15(17)3;/h8-10,16H,4-7,11-13H2,1-3H3,(H,19,21);1H |
| InChI Key | BZVSYTYTKCADQQ-UHFFFAOYSA-N |
| MDL Number | MFCD30145487 |
| Molecular Formula | C18H29ClN2O2 |
| Molecular Weight | 340.8881 |
| SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)C2CCCCN2(=O)CCCC |
| Synonyms | Bupivacaine N-Oxide Hydrochloride Salt,
1796927-05-3,
A1-03017,
BZVSYTYTKCADQQ-UHFFFAOYSA-N,
|
| Complexity | 364 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 340.192g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 340.892g/mol |
| Monoisotopic Mass | 340.192g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 47.2A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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