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Molecule
Dipyridamole
CAS: 58-32-2 · C24H40N8O4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 58-32-2
- Molecular Formula
- C24H40N8O4
- Molecular Mass
- 504.64 g/mol
Identifiers
CAS Registry Number
58-32-2
SMILES
OCCN(CCO)c1nc(N2CCCCC2)c2nc(N(CCO)CCO)nc(N3CCCCC3)c2n1
InChI Key
IZEKFCXSFNUWAM-UHFFFAOYSA-N
InChI
InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2
Names and Synonyms
- Dipyridamole Common Name
- Ethanol, 2,2′,2′′,2′′′-[(4,8-di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis- Synonym
- Ethanol, 2,2′,2′′,2′′′-[(4,8-dipiperidinopyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetra- Synonym
- Pyrimido[5,4-d]pyrimidine, ethanol deriv. Synonym
- 2,2′,2′′,2′′′-[(4,8-Di-1-piperidinylpyrimido[5,4-d]pyrimidine-2,6-diyl)dinitrilo]tetrakis[ethanol] Synonym
- RA 8 Synonym
- 2,6-Bis(diethanolamino)-4,8-dipiperidinopyrimido[5,4-d]pyrimidine Synonym
- 2,2′,2′′,2′′′-[[4,8-Dipiperidinopyrimido(5,4-d)pyrimidine-2,6-diyl]dinitrilo]tetraethanol Synonym
- Dipyridamine Synonym
- Dipyridamol Synonym
- Dipyridamole Synonym
- Persantin Synonym
- Persantine Synonym
- Anginal Synonym
- Cardoxin Synonym
- Curantyl Synonym
- Kurantil Synonym
- Stenocardil Synonym
- Apricor Synonym
- Cardioflux Synonym
- Stimolcardio Synonym
- Coribon Synonym
- Corosan Synonym
- Coroxin Synonym
- Prandiol Synonym
- Coronarine Synonym
- Cardoxil Synonym
- Gulliostin Synonym
- Protangix Synonym
- Piroan Synonym
- Peridamol Synonym
- Natyl Synonym
- Coridil Synonym
- Cleridium Synonym
- NSC 515776 Synonym
- Dipyridan Synonym
- NSC 619103 Synonym
- 2,2′,2′′,2′′′-[[4,8-Di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl]dinitrilo]tetraethanol Synonym
- 2,2′,2′′,2′′′-((4,8-Di(piperidin-1-yl)pyrimido[5,4-d]pyrimidine-2,6-diyl)bis(azanetriyl))tetraethanol Synonym
- 2-([6-[Bis(2-hydroxyethyl)amino]-4,8-bis(piperidin-1-yl)-[1,3]diazino[5,4-d]pyrimidin-2-yl](2-hydroxyethyl)amino)ethan-1-ol Synonym
- 2-[[2-[Bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Name | Dipyridamole | CAS Common Chemistry |
| Molecular Mass | 504.64 g/mol | CAS Common Chemistry |
| 504.6360000000004 g/mol | RDKit | |
| 504.636 g/mol | RDKit | |
| Canonical SMILES | OCCN(C=1N=C2C(N=C(N=C2N3CCCCC3)N(CCO)CCO)=C(N1)N4CCCCC4)CCO | CAS Common Chemistry |
| InChI | InChI=1S/C24H40N8O4/c33-15-11-31(12-16-34)23-26-20-19(21(27-23)29-7-3-1-4-8-29)25-24(32(13-17-35)14-18-36)28-22(20)30-9-5-2-6-10-30/h33-36H,1-18H2 | CAS Common Chemistry |
| InChI Key | InChIKey=IZEKFCXSFNUWAM-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 163 °C | CAS Common Chemistry |
| Heavy Atom Count | 36 | RDKit |
| Hydrogen Bond Acceptors | 12 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 145.44 Ų | RDKit |
| 142.4 Ų | chempirical lib | |
| LogP | -0.017599999999997396 | RDKit |
| -0.0176 | RDKit | |
| Molar Refractivity | 140.02519999999993 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 504.31725176000003 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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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 = 504.64 g/mol. Edit any field — others recompute live.
