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(-)-Nitrendipine

CAT: 0572-TRC-N490155-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N490155-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
80873-62-7
Synonyms
(-)-Nitrendipine
Hazard Statement
No Data Available
Smiles
CCOC(=O)C1=C(C)NC(=C([C@@H]1c2cccc(c2)[N+](=O)[O-])C(=O)OC)C
Molecular Formula
C18 H20 N2 O6
Molecular Weight
360.361
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3/t16-/m0/s1
Additionnal Information
IUPAC name: 5-O-ethyl 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Shipping Conditions
Room Temperature

Chemical Information

(S)-Nitrendipine

(S)-nitrendipine is a dihydropyridine.

CAS Number80873-62-7
PubChem CID157702
IUPAC Name5-O-ethyl 3-O-methyl (4S)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Molecular FormulaC18H20N2O6
Molecular Weight360.4
XLogP2.9
Topological Polar Surface Area110
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count26
Formal Charge0
Complexity661
SMILES
CCOC(=O)C1=C(NC(=C([C@@H]1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C
InChI
InChI=1S/C18H20N2O6/c1-5-26-18(22)15-11(3)19-10(2)14(17(21)25-4)16(15)12-7-6-8-13(9-12)20(23)24/h6-9,16,19H,5H2,1-4H3/t16-/m0/s1
InChIKey
PVHUJELLJLJGLN-INIZCTEOSA-N
Chemical Structure
2D Structure
2D structure of (S)-Nitrendipine
CAS: 80873-62-7
CID: 157702
Formula: C18H20N2O6
MW: 360.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight360.4
XLogP32.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass360.13213636
Monoisotopic Mass360.13213636
Topological Polar Surface Area110 Ų
Heavy Atom Count26
Formal Charge0
Complexity661
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS3604359-01Nitrendipine
sc-478335(+) -Nitrendipine
165625(-) -Nitrendipine

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