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NP-252

CAT: 0013-GTR19196923-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196923-01Size:25 mg
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Description
NP-252 is a calcium channel blocker investigated for its therapeutic potential in cardiovascular diseases such as angina and heart failure. Research applications include in vitro studies on vascular smooth muscle and in vivo models of cardiac function.
CAS Number
132031-81-3
Field of Research
Metabolism Research, Pharmacology & Drug Discovery
Smiles
C (NC1CC1) (=O) C=2C (C (C (OCCCCCCCC) =O) =C (C) NC2C) C3=C (N (=O) =O) C=CC=C3
Molecular Formula
C26H35N3O5
Molecular Weight
469.57
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

NP 252

structure given in first source

CAS Number132031-81-3
PubChem CID131462
IUPAC Nameoctyl 5-(cyclopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate
Molecular FormulaC26H35N3O5
Molecular Weight469.6
XLogP5.3
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Heavy Atom Count34
Formal Charge0
Complexity825
SMILES
CCCCCCCCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2[N+](=O)[O-])C(=O)NC3CC3)C)C
InChI
InChI=1S/C26H35N3O5/c1-4-5-6-7-8-11-16-34-26(31)23-18(3)27-17(2)22(25(30)28-19-14-15-19)24(23)20-12-9-10-13-21(20)29(32)33/h9-10,12-13,19,24,27H,4-8,11,14-16H2,1-3H3,(H,28,30)
InChIKey
IAWVGADTHVEXRD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of NP 252
CAS: 132031-81-3
CID: 131462
Formula: C26H35N3O5
MW: 469.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight469.6
XLogP35.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count12
Exact Mass469.25767123
Monoisotopic Mass469.25767123
Topological Polar Surface Area113 Ų
Heavy Atom Count34
Formal Charge0
Complexity825
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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