Basic information
- CAS
75695-99-7- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1cccc2nonc12- InChIKey
JZLLWZJRQZWSRQ-UHFFFAOYSA-N- Molecular formula
- C18H19N3O5
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.13247072
Names & identifiers
- Preferred name
- Isradipine EP impurity A
- IUPAC
- 5-O-ethyl 3-O-methyl 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
- English name
- Isradipine EP impurity A
- Molecular formula
- C18H19N3O5
- Molecular weight
- 357.36
Names & synonyms
75695-99-73-Ethyl 5-methyl 4-(benzo[c][1,2,5]oxadiazol-4-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateIsradipine EP impurity ASCHEMBL7343428DTXSID9011088023,5-Pyridinedicarboxylic acid, 4-(2,1,3-benzoxadiazol-4-yl)-1,4-dihydro-2,6-dimethyl-, 3-ethyl 5-methyl esterIsradipine Impurity 1（Isradipine EP Impurity A）
Database identifiers
- CAS
75695-99-7- PubChem CID
- 20163920
- DTXSID
DTXSID901108802
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Boiling point
- 497 · 497.0±55.0 °C(Predicted)
- Density
- 1.274 · 1.274±0.06 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.70(Predicted)
Chemistry & industry
Suppliers15 total
陕西缔都医药有限责任公司029-81124775 17791530730 · [email protected]
济南百隆化学有限公司[email protected] · [email protected]
怀化元研达生物技术有限责任公司18711085600 · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
广州隽唐科技有限公司020-36607679 13502246435 · [email protected]
孟成科技（上海）有限公司400-820-6829 · [email protected]
怀化元研达生物技术有限责任公司18711085600; 18229999901 · [email protected]
希瓦生物科技（广州）有限公司13268215580 · [email protected]
深圳振强药物研发有限公司+86-0755-66853366 +86-13670046396 · [email protected]
河南誉康卓宁进出口有限公司13393721940 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
常州翔龙医药科技有限公司18661161657 · [email protected]
上海择睿生物科技有限公司021-54580889 18321124657 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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