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Molecule
Nateglinide
CAS: 105816-04-4 · C19H27NO3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 105816-04-4
- Molecular Formula
- C19H27NO3
- Molecular Mass
- 317.43 g/mol
Identifiers
CAS Registry Number
105816-04-4
SMILES
CC(C)[C@H]1CC[C@H](C(O)=N[C@H](Cc2ccccc2)C(=O)O)CC1
InChI Key
OELFLUMRDSZNSF-BRWVUGGUSA-N
InChI
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1
Names and Synonyms
- Nateglinide Synonym
- D-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]- Synonym
- D-Phenylalanine, N-[[4-(1-methylethyl)cyclohexyl]carbonyl]-, trans- Synonym
- N-[[trans-4-(1-Methylethyl)cyclohexyl]carbonyl]-D-phenylalanine Synonym
- A 4166 Synonym
- AY 4166 Synonym
- SDZ-DJN 608 Synonym
- (-)-N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine Synonym
- Nateglinide Synonym
- Starlix Synonym
- Fastic Synonym
- Starsis Synonym
- DJN 608 Synonym
- Senaglinide Synonym
- D-Nateglinide Synonym
- Starlix DS Synonym
- Glinate Synonym
- Natelide Synonym
- Glunate Synonym
- Pastic Synonym
- Trazec Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 317.43 g/mol | CAS Common Chemistry |
| 317.42900000000014 g/mol | RDKit | |
| 317.429 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(NC(=O)C1CCC(CC1)C(C)C)CC=2C=CC=CC2 | CAS Common Chemistry |
| InChI | InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15-,16-,17-/m1/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=OELFLUMRDSZNSF-BRWVUGGUSA-N | CAS Common Chemistry |
| Melting Point | 140 °C | CAS Common Chemistry |
| Name | Nateglinide | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 69.89 Ų | RDKit |
| LogP | 4.101200000000003 | RDKit |
| 4.1012 | RDKit | |
| 4.27 | chempirical lib | |
| Molar Refractivity | 91.91960000000006 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5789 | RDKit |
| 0.58 | chempirical lib | |
| Exact Mass | 317.199093724 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 317.43 g/mol. Edit any field — others recompute live.
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