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Dehydro Lercanidipine

CAT: 0572-TRC-D229220-50MGSize: 50 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D229220-50MGSize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
887769-34-8
Synonyms
2,6-dimethyl-4-(3-nitrophenyl)-3,5-Pyridinedicarboxylic acid 3-[2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl] 5-methyl ester; 3,5-Pyridinedicarboxylic acid, 2,6-dimethyl-4-(3-nitrophenyl)-, 2-[(3,3-diphenylpropyl)methylamino]-1,1-dimethylethyl methyl ester (9CI); Dehydro Lercanidipine; Dehydrolercanidipine
Hazard Statement
Harmful if swallowed
Purity
>95% (HPLC)
Smiles
COC(=O)c1c(C)nc(C)c(C(=O)OC(C)(C)CN(C)CCC(c2ccccc2)c3ccccc3)c1c4cccc(c4)[N+](=O)[O-]
Molecular Formula
C36 H39 N3 O6
Molecular Weight
609.71
InChI
InChI=1S/C36H39N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30H,20-21,23H2,1-6H3
Additionnal Information
IUPAC name: 3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Shipping Conditions
Room Temperature
Storage Conditions
+4°C

Chemical Information

Lercandipine Hydrochloride Impurity D
CAS Number887769-34-8
PubChem CID97961399
IUPAC Name3-O-[1-[3,3-diphenylpropyl(methyl)amino]-2-methylpropan-2-yl] 5-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)pyridine-3,5-dicarboxylate
Molecular FormulaC36H39N3O6
Molecular Weight609.7
XLogP7.2
Topological Polar Surface Area115
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Heavy Atom Count45
Formal Charge0
Complexity954
SMILES
CC1=C(C(=C(C(=N1)C)C(=O)OC(C)(C)CN(C)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C36H39N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22-28)39(42)43)32(25(2)37-24)35(41)45-36(3,4)23-38(5)21-20-30(26-14-9-7-10-15-26)27-16-11-8-12-17-27/h7-19,22,30H,20-21,23H2,1-6H3
InChIKey
JIWNIVBUTXSUBK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Lercandipine Hydrochloride Impurity D
CAS: 887769-34-8
CID: 97961399
Formula: C36H39N3O6
MW: 609.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight609.7
XLogP37.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count13
Exact Mass609.28388597
Monoisotopic Mass609.28388597
Topological Polar Surface Area115 Ų
Heavy Atom Count45
Formal Charge0
Complexity954
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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AR-L06026-01Dehydro Lercanidipine
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AR-L01355-01Desmethyl Dehydro Lercanidipine
sc-500194Dehydro Lercanidipine-d3
AR-L06853-01Lercanidipine EP Impurity C HCl (Dehydro Lercanidipine HCl)
B3483-100Lercanidipine
B3482-50Lercanidipine hydrochloride
HY-W707863-01Lercanidipine-d3

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