Pinacidil monohydrate 50mg

CAT: 0628-A17380-50Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0628-A17380-50Size:50 mg

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CAS Number

85371-64-8

Chemical Information

Pinacidil

Pinacidil is an organic molecular entity.

CAS Number	85371-64-8
PubChem CID	55329
IUPAC Name	1-cyano-2-(3,3-dimethylbutan-2-yl)-3-pyridin-4-ylguanidine;hydrate
Molecular Formula	C13H21N5O
Molecular Weight	263.34
Topological Polar Surface Area	74.1
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	19
Formal Charge	0
Complexity	327

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

CAS: 85371-64-8

CID: 55329

Formula: C13H21N5O

MW: 263.34

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	263.34
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	263.17461031
Monoisotopic Mass	263.17461031
Topological Polar Surface Area	74.1 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	327
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

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