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Molecule
Levosulpiride
CAS: 23672-07-3 · C15H23N3O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 23672-07-3
- Molecular Formula
- C15H23N3O4S
- Molecular Mass
- 341.43 g/mol
Identifiers
CAS Registry Number
23672-07-3
SMILES
CCN1CCC[C@H]1CN=C(O)c1cc(S(N)(=O)=O)ccc1OC
InChI Key
BGRJTUBHPOOWDU-NSHDSACASA-N
InChI
InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1
Names and Synonyms
- Levosulpiride Common Name
- Benzamide, 5-(aminosulfonyl)-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxy- Synonym
- o-Anisamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-, (-)- Synonym
- Benzamide, 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-, (S)- Synonym
- 5-(Aminosulfonyl)-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxybenzamide Synonym
- l-Sulpiride Synonym
- (-)-Sulpiride Synonym
- L-Sulpiride Synonym
- S-(-)-Sulpiride Synonym
- S-Sulpiride Synonym
- Levosulpiride Synonym
- Levobren Synonym
- Levopraid Synonym
- sulpid Synonym
- levopride Synonym
- Lesuride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.43 g/mol | CAS Common Chemistry |
| 341.4330000000001 g/mol | RDKit | |
| 341.433 g/mol | RDKit | |
| 341.426 g/mol | chempirical lib | |
| Canonical SMILES | O=C(NCC1N(CC)CCC1)C2=CC(=CC=C2OC)S(=O)(=O)N | CAS Common Chemistry |
| InChI | InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21)/t11-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=BGRJTUBHPOOWDU-NSHDSACASA-N | CAS Common Chemistry |
| Melting Point | 185-187 °C | CAS Common Chemistry |
| Name | Levosulpiride | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 5 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 105.21999999999998 Ų | RDKit |
| 105.22 Ų | RDKit | |
| LogP | 1.1315000000000008 | RDKit |
| 1.1315 | RDKit | |
| Molar Refractivity | 88.66900000000005 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5333 | RDKit |
| 0.53 | chempirical lib | |
| Exact Mass | 341.140927216 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
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 = 341.43 g/mol. Edit any field — others recompute live.
