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Levosulpiride
CAS: 23672-07-3 | C15H23N3O4S
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
23672-07-3
Molecular Formula:
C15H23N3O4S
Molecular Mass:
341.43 g/mol
Names and Synonyms:
Levosulpiride
Benzamide, 5-(aminosulfonyl)-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxy-
o-Anisamide, N-[(1-ethyl-2-pyrrolidinyl)methyl]-5-sulfamoyl-, (-)-
Benzamide, 5-(aminosulfonyl)-N-[(1-ethyl-2-pyrrolidinyl)methyl]-2-methoxy-, (S)-
5-(Aminosulfonyl)-N-[[(2S)-1-ethyl-2-pyrrolidinyl]methyl]-2-methoxybenzamide
l-Sulpiride
(-)-Sulpiride
L-Sulpiride
S-(-)-Sulpiride
S-Sulpiride
Levosulpiride
Levobren
Levopraid
sulpid
levopride
Lesuride
Identifiers:
SMILES:
CCN1CCC[C@H]1CN=C(O)c1cc(S(N)(=O)=O)ccc1OC
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
Key Properties
Melting Point
185-187 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 341.43 g/mol | CAS Common Chemistry |
| 341.4330000000001 g/mol | RDKit | |
| 341.140927216 g/mol | RDKit | |
| 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 |
| LogP | 1.1315000000000008 | RDKit |
| Molar Refractivity | 88.66900000000005 | RDKit |
