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Molecule
Zolpidem Tartrate
CAS: 99294-93-6 · C23H27N3O7
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 99294-93-6
- Molecular Formula
- C23H27N3O7
- Molecular Mass
- 457.48 g/mol
Identifiers
CAS Registry Number
99294-93-6
SMILES
Cc1ccc(-c2nc3ccc(C)cn3c2CC(=O)N(C)C)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChI Key
NYVVVBWEVRSKIU-LREBCSMRSA-N
InChI
InChI=1S/C19H21N3O.C4H6O6/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Names and Synonyms
- Zolpidem Tartrate Common Name
- Imidazo[1,2-a]pyridine-3-acetamide, N,N,6-trimethyl-2-(4-methylphenyl)-, (2R,3R)-2,3-dihydroxybutanedioate (2:1) Synonym
- Imidazo[1,2-a]pyridine-3-acetamide, N,N,6-trimethyl-2-(4-methylphenyl)-, [R-(R*,R*)]-2,3-dihydroxybutanedioate (2:1) Synonym
- Zolpidem tartrate Synonym
- Ambien Synonym
- Zolpidem hemitartrate Synonym
- Stilnoct Synonym
- Niotal Synonym
- Stilnox Synonym
- Ivadal Synonym
- SL 800750-23N Synonym
- Zolfresh Synonym
- Zolinox Synonym
- sobrium Synonym
- Intermezzo Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 457.48 g/mol | CAS Common Chemistry |
| 457.4830000000002 g/mol | RDKit | |
| 457.483 g/mol | RDKit | |
| 458.491 g/mol | chempirical lib | |
| Canonical SMILES | O=C(O)C(O)C(O)C(=O)O.O=C(N(C)C)CC1=C(N=C2C=CC(=CN21)C)C3=CC=C(C=C3)C | CAS Common Chemistry |
| InChI | InChI=1S/C19H21N3O.C4H6O6/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19;5-1(3(7)8)2(6)4(9)10/h5-10,12H,11H2,1-4H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=NYVVVBWEVRSKIU-LREBCSMRSA-N | CAS Common Chemistry |
| Melting Point | 196 °C | CAS Common Chemistry |
| Name | Zolpidem tartrate | CAS Common Chemistry |
| Heavy Atom Count | 33 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| 6 | RDKit | |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 152.67000000000002 Ų | RDKit |
| 152.67 Ų | RDKit | |
| 159.5 Ų | chempirical lib | |
| LogP | 1.126239999999999 | RDKit |
| 1.1262 | RDKit | |
| Molar Refractivity | 119.78520000000006 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3043 | RDKit |
| Exact Mass | 457.18490020399986 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 |
|---|
200 ppm
180
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20
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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 = 457.48 g/mol. Edit any field — others recompute live.
