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Cilostazol
CAS: 73963-72-1 | C20H27N5O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
73963-72-1
Molecular Formula:
C20H27N5O2
Molecular Mass:
369.47 g/mol
Names and Synonyms:
Cilostazol
2(1H)-Quinolinone, 6-[4-(1-cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-
6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydro-2(1H)-quinolinone
Cilostazol
Cilostazole
Pletaal
OPC 21
OPC 13013
Pletal
6-[4-(1-Cyclohexyl-1,2,3,4-tetrazol-5-yl)butoxy]-3,4-dihydrocarbostyril
6-[4-(1-Cyclohexyl-1H-tetrazol-5-yl)butoxy]-3,4-dihydroquinolin-2(1H)-one
Identifiers:
SMILES:
O=C1CCc2cc(OCCCCc3nnnn3C3CCCCC3)ccc2N1
InChI:
InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26)
Key Properties
Melting Point
160 °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 | 369.47 g/mol | CAS Common Chemistry |
| 369.4690000000002 g/mol | RDKit | |
| 369.21647510400004 g/mol | RDKit | |
| Canonical SMILES | O=C1NC2=CC=C(OCCCCC3=NN=NN3C4CCCCC4)C=C2CC1 | CAS Common Chemistry |
| InChI | InChI=1S/C20H27N5O2/c26-20-12-9-15-14-17(10-11-18(15)21-20)27-13-5-4-8-19-22-23-24-25(19)16-6-2-1-3-7-16/h10-11,14,16H,1-9,12-13H2,(H,21,26) | CAS Common Chemistry |
| InChI Key | InChIKey=RRGUKTPIGVIEKM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160 °C | CAS Common Chemistry |
| Name | Cilostazol | CAS Common Chemistry |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 81.93 Ų | RDKit |
| LogP | 3.4647000000000014 | RDKit |
| Molar Refractivity | 101.76470000000005 | RDKit |
