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Bimoclomol

CAT: 0013-GTR19204419-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19204419-01Size:50 mg
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Description
Bimoclomol
CAS Number
130493-03-7
Field of Research
Metabolism Research, Signal Transduction
Smiles
OC (CO\N=C (/Cl) c1cccnc1) CN1CCCCC1
Molecular Formula
C14H20ClN3O2
Molecular Weight
297.78
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bimoclomol

Bimoclomol is an investigational drug that induces stress proteins and has cytoprotective effects.

CAS Number130493-03-7
PubChem CID9576891
IUPAC Name(3Z)-N-(2-hydroxy-3-piperidin-1-ylpropoxy)pyridine-3-carboximidoyl chloride
Molecular FormulaC14H20ClN3O2
Molecular Weight297.78
XLogP2.2
Topological Polar Surface Area58
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count20
Formal Charge0
Complexity309
SMILES
C1CCN(CC1)CC(CO/N=C(/C2=CN=CC=C2)\Cl)O
InChI
InChI=1S/C14H20ClN3O2/c15-14(12-5-4-6-16-9-12)17-20-11-13(19)10-18-7-2-1-3-8-18/h4-6,9,13,19H,1-3,7-8,10-11H2/b17-14-
InChIKey
NMOVJBAGBXIKCG-VKAVYKQESA-N
Chemical Structure
2D Structure
2D structure of Bimoclomol
CAS: 130493-03-7
CID: 9576891
Formula: C14H20ClN3O2
MW: 297.78
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight297.78
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass297.1244046
Monoisotopic Mass297.1244046
Topological Polar Surface Area58 Ų
Heavy Atom Count20
Formal Charge0
Complexity309
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
MBS5767998Bimoclomol

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