Lacidipine Bp Impurity B

CAT: 1299-RM-L030402-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-L030402-01Size:10 mg

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CAS Number

130996-24-6

Synonyms

Diethyl (E) -4-{2-[2- (tert-butoxycarbonyl) vinyl]phenyl}-2,6-dimethylpyridine-3,5-dicarboxylate

Molecular Formula

C26H31NO6

Molecular Weight

453.53

Target Alternative Name

Lacidipine

Product Name Synonym

Diethyl (E) -4-{2-[2- (tert-butoxycarbonyl) vinyl]phenyl}-2,6-dimethylpyridine-3,5-dicarboxylate

Chemical Information

Dehydro Lacidipine

CAS Number	130996-24-6
PubChem CID	22898668
IUPAC Name	diethyl 2,6-dimethyl-4-[2-[(E)-3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]phenyl]pyridine-3,5-dicarboxylate
Molecular Formula	C26H31NO6
Molecular Weight	453.5
XLogP	5
Topological Polar Surface Area	91.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Heavy Atom Count	33
Formal Charge	0
Complexity	682

SMILES

CCOC(=O)C1=C(N=C(C(=C1C2=CC=CC=C2/C=C/C(=O)OC(C)(C)C)C(=O)OCC)C)C

InChI

InChI=1S/C26H31NO6/c1-8-31-24(29)21-16(3)27-17(4)22(25(30)32-9-2)23(21)19-13-11-10-12-18(19)14-15-20(28)33-26(5,6)7/h10-15H,8-9H2,1-7H3/b15-14+

InChIKey

GYEICLHNCXDXIW-CCEZHUSRSA-N

Chemical Structure

2D Structure

CAS: 130996-24-6

CID: 22898668

Formula: C26H31NO6

MW: 453.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	453.5
XLogP3	5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	11
Exact Mass	453.21513771
Monoisotopic Mass	453.21513771
Topological Polar Surface Area	91.8 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	682
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes