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Lercanidipine Impurity A

CAT: 0572-TRC-L179015-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-L179015-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
74936-74-6
Synonyms
3,5-Pyridinedicarboxylic acid, 1,4-dihydro-2,6-dimethyl-4-(3-nitrophenyl)-, mono(1-methylpropyl) ester (9CI); Lercanidipine Impurity A
Hazard Statement
No Data Available
Smiles
CCC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)O)C
Molecular Formula
C19 H22 N2 O6
Molecular Weight
374.39
InChI
InChI=1S/C19H22N2O6/c1-5-10(2)27-19(24)16-12(4)20-11(3)15(18(22)23)17(16)13-7-6-8-14(9-13)21(25)26/h6-10,17,20H,5H2,1-4H3,(H,22,23)
Additionnal Information
IUPAC name: 5-butan-2-yloxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Shipping Conditions
Room Temperature

Chemical Information

Lercanidipine Impurity A
CAS Number74936-74-6
PubChem CID13363139
IUPAC Name5-butan-2-yloxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid
Molecular FormulaC19H22N2O6
Molecular Weight374.4
XLogP3.4
Topological Polar Surface Area121
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity691
SMILES
CCC(C)OC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)O)C)C
InChI
InChI=1S/C19H22N2O6/c1-5-10(2)27-19(24)16-12(4)20-11(3)15(18(22)23)17(16)13-7-6-8-14(9-13)21(25)26/h6-10,17,20H,5H2,1-4H3,(H,22,23)
InChIKey
SDBFEXFBUQTLEU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lercanidipine Impurity A
CAS: 74936-74-6
CID: 13363139
Formula: C19H22N2O6
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass374.14778643
Monoisotopic Mass374.14778643
Topological Polar Surface Area121 Ų
Heavy Atom Count27
Formal Charge0
Complexity691
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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