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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
Names and Synonyms:
Nateglinide
D-Phenylalanine, N-[[trans-4-(1-methylethyl)cyclohexyl]carbonyl]-
D-Phenylalanine, N-[[4-(1-methylethyl)cyclohexyl]carbonyl]-, trans-
N-[[trans-4-(1-Methylethyl)cyclohexyl]carbonyl]-D-phenylalanine
A 4166
AY 4166
SDZ-DJN 608
(-)-N-[(trans-4-Isopropylcyclohexyl)carbonyl]-D-phenylalanine
Nateglinide
Starlix
Fastic
Starsis
DJN 608
Senaglinide
D-Nateglinide
Starlix DS
Glinate
Natelide
Glunate
Pastic
Trazec
Identifiers:
SMILES:
CC(C)[C@H]1CC[C@H](C(O)=N[C@H](Cc2ccccc2)C(=O)O)CC1
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
Key Properties
Melting Point
140 °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 | 317.43 g/mol | CAS Common Chemistry |
| 317.42900000000014 g/mol | RDKit | |
| 317.199093724 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 |
| Molar Refractivity | 91.91960000000006 | RDKit |
