Basic information
- CAS
155506-70-0- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC2COC3(CCCC3)O2)C1c1cccc(Cl)c1- InChIKey
GDMNURLVWVGYHR-UHFFFAOYSA-N- Molecular formula
- C25H30ClNO6
- Average molar mass
- 476 g/mol
- Monoisotopic mass
- 475.1761654
Overview
a calcium antagonist; a high tolerance in all species of experimental animals, and no biologically mutagenic potential was recorded
Names & identifiers
- Preferred name
- Vulm-993
- IUPAC
- 5-O-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl) 3-O-ethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Names & synonyms
Vulm 993155506-70-0VULM-9937IH970ATD23,5-Pyridinedicarboxylic acid, 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-, 1,4-dioxaspiro(4.4)non-2-ylmethyl ethyl esterRefChem:1947031,4-Dioxaspiro(4.4)non-2-ylmethyl ethyl 4-(3-chlorophenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate4-(3-chlorophenyl)-3-etoxycarbonyl-5-(1-(1,4-dioxaspiro(4,4)nonan-2-yl)methylenoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridine5-O-(1,4-dioxaspiro[4.4]nonan-3-ylmethyl) 3-O-ethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylateCCRIS 7975UNII-7IH970ATD2orb1739027
Show more names
SCHEMBL30357941DTXSID60935223Q27268350(1,4-Dioxaspiro[4.4]nonan-2-yl)methyl ethyl 4-(3-chlorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate3,5-PYRIDINEDICARBOXYLIC ACID, 4-(3-CHLOROPHENYL)-1,4-DIHYDRO-2,6-DIMETHYL-, 3-(1,4-DIOXASPIRO(4.4)NON-2-YLMETHYL) 5-ETHYL ESTER
Database identifiers
- CAS
155506-70-0
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 83.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 831
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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