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N-Nitroso-Verapamil Impurity 54

CAT: 1299-RM-V051854-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-V051854-01Size:10 mg
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CAS Number
16662-47-8
Synonyms
5- ((3,4-dimethoxyphenethyl) (methyl) amino) -2-isopropyl-2- (3,4,5-trimethoxyphenyl) pentanenitrile
Molecular Formula
C28H40N2O5
Molecular Weight
484.64
Target Alternative Name
N-Nitroso-Verapamil

Chemical Information

Gallopamil

Gallopamil is a member of benzenes and an organic amino compound.

CAS Number16662-47-8
PubChem CID1234
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-yl-2-(3,4,5-trimethoxyphenyl)pentanenitrile
Molecular FormulaC28H40N2O5
Molecular Weight484.6
XLogP3.8
Topological Polar Surface Area73.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Heavy Atom Count35
Formal Charge0
Complexity639
SMILES
CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C28H40N2O5/c1-20(2)28(19-29,22-17-25(33-6)27(35-8)26(18-22)34-7)13-9-14-30(3)15-12-21-10-11-23(31-4)24(16-21)32-5/h10-11,16-18,20H,9,12-15H2,1-8H3
InChIKey
XQLWNAFCTODIRK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Gallopamil
CAS: 16662-47-8
CID: 1234
Formula: C28H40N2O5
MW: 484.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight484.6
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count14
Exact Mass484.29372238
Monoisotopic Mass484.29372238
Topological Polar Surface Area73.2 Ų
Heavy Atom Count35
Formal Charge0
Complexity639
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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