Pamidronate disodium salt
prop-2-enyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Also Known As: Pamidronate disodium salt|Oprea1_015926|Oprea1_607912|BAS 00714434|PROP-2-ENYL 1,6-DIMETHYL-4-(3-NITROPHENYL)-2-OXO-3,4-DIHYDROPYRIMIDINE-5-CARBOXYLATE|AG-690/11821779|SR-01000411165-1|prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|prop-2-enyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate|allyl 4-{3-nitrophenyl}-1,6-dimethyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate|prop-2-enyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,3,6-trihydropyrimidine-5-ca rboxylate
| Molecular Formula | C16H17N3O5 |
|---|---|
| Molecular Weight | 331.11682 g/mol |
| LogP | 2.2941 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 331.11682 |
| Monoisotopic Mass | 331.11682 |
| Heavy Atoms | 24 |
| Complexity | 740.98334 |
Chemical Identifiers
| CAS Number | 5725-38-2 |
|---|---|
| SMILES | CC1=C(C(NC(=O)N1C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC=C |
Product Overview
Pamidronate disodium salt (CAS 5725-38-2), with molecular formula C16H17N3O5 and molecular weight 331.11682 g/mol. IUPAC: prop-2-enyl 3,4-dimethyl-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
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