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Molecule
Mepivacaine Hydrochloride
CAS: 1722-62-9 · C15H23ClN2O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1722-62-9
- Molecular Formula
- C15H23ClN2O
- Molecular Mass
- 282.82 g/mol
Identifiers
CAS Registry Number
1722-62-9
SMILES
Cc1cccc(C)c1N=C(O)C1CCCCN1C.Cl
InChI Key
RETIMRUQNCDCQB-UHFFFAOYSA-N
InChI
InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H
Names and Synonyms
- Mepivacaine Hydrochloride Synonym
- 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, hydrochloride (1:1) Synonym
- 2′,6′-Pipecoloxylidide, 1-methyl-, monohydrochloride Synonym
- 2-Piperidinecarboxamide, N-(2,6-dimethylphenyl)-1-methyl-, monohydrochloride Synonym
- Carbocaine monohydrochloride Synonym
- Mepivacaine monohydrochloride Synonym
- Mepivacaine hydrochloride Synonym
- Carbocaine hydrochloride Synonym
- Scandonest Synonym
- (±)-Mepivacaine hydrochloride Synonym
- Scandicain Synonym
- Polocaine Synonym
- Mepident Synonym
- Meaverin Synonym
- Mepicaton Synonym
- Chlorocain Synonym
- Optocain Synonym
- Carbocaina Synonym
- Mepivastesin Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 282.82 g/mol | CAS Common Chemistry |
| 282.81499999999994 g/mol | RDKit | |
| 282.815 g/mol | RDKit | |
| 282.812 g/mol | chempirical lib | |
| Canonical SMILES | Cl.O=C(NC=1C(=CC=CC1C)C)C2N(C)CCCC2 | CAS Common Chemistry |
| InChI | InChI=1S/C15H22N2O.ClH/c1-11-7-6-8-12(2)14(11)16-15(18)13-9-4-5-10-17(13)3;/h6-8,13H,4-5,9-10H2,1-3H3,(H,16,18);1H | CAS Common Chemistry |
| InChI Key | InChIKey=RETIMRUQNCDCQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 262-264 °C | CAS Common Chemistry |
| Name | Mepivacaine hydrochloride | CAS Common Chemistry |
| Heavy Atom Count | 19 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 35.830000000000005 Ų | RDKit |
| 35.83 Ų | RDKit | |
| 35.6 Ų | chempirical lib | |
| LogP | 3.797540000000003 | RDKit |
| 3.7975 | RDKit | |
| 4.04 | chempirical lib | |
| Molar Refractivity | 83.15680000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 282.14989103600004 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 282.82 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C15H23ClN2O.
