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Pinacidil monohydrate 100mg

CAT: 0628-A17380-100Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0628-A17380-100Size:100 mg
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CAS Number
85371-64-8

Chemical Information

Pinacidil

Pinacidil is an organic molecular entity.

CAS Number85371-64-8
PubChem CID55329
IUPAC Name1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine;hydrate
Molecular FormulaC13H21N5O
Molecular Weight263.34
Topological Polar Surface Area74.1
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count19
Formal Charge0
Complexity327
SMILES
CC(C(C)(C)C)N=C(NC#N)NC1=CC=NC=C1.O
InChI
InChI=1S/C13H19N5.H2O/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11;/h5-8,10H,1-4H3,(H2,15,16,17,18);1H2
InChIKey
AFJCNBBHEVLGCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pinacidil
CAS: 85371-64-8
CID: 55329
Formula: C13H21N5O
MW: 263.34
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight263.34
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass263.17461031
Monoisotopic Mass263.17461031
Topological Polar Surface Area74.1 Ų
Heavy Atom Count19
Formal Charge0
Complexity327
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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