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3',4'-Dichlorobenzamil HCl

CAT: 0931-T26383-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T26383-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1166-01-4
Target
Others, Sodium Channel, Na+/Ca2+ Exchanger, Calcium Channel
Related Pathways
Metabolism, Others, Membrane transporter/Ion channel
Bioactivity
3',4'-Dichlorobenzamil HCl is an inhibitor of Na+ transport, Na+/Ca2+ exchanger, sarcoplasmic reticulum Ca2+ release channels.
Smiles
C(NC(NCC1=CC(Cl)=C(Cl)C=C1)=N)(=O)C=2C(N)=NC(N)=C(Cl)N2
Molecular Formula
C13H12Cl3N7O
Molecular Weight
388.64
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

3',4'-Dichlorobenzamil

3,5-diamino-N-[amino-[(3,4-dichlorophenyl)methylimino]methyl]-6-chloro-2-pyrazinecarboxamide is a member of guanidines and a member of pyrazines.

CAS Number1166-01-4
PubChem CID114771
IUPAC Name3,5-diamino-6-chloro-N-[N'-[(3,4-dichlorophenyl)methyl]carbamimidoyl]pyrazine-2-carboxamide
Molecular FormulaC13H12Cl3N7O
Molecular Weight388.6
XLogP3
Topological Polar Surface Area145
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity480
SMILES
C1=CC(=C(C=C1CN=C(N)NC(=O)C2=C(N=C(C(=N2)Cl)N)N)Cl)Cl
InChI
InChI=1S/C13H12Cl3N7O/c14-6-2-1-5(3-7(6)15)4-20-13(19)23-12(24)8-10(17)22-11(18)9(16)21-8/h1-3H,4H2,(H4,17,18,22)(H3,19,20,23,24)
InChIKey
OSHKWEFWXCCNJR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3',4'-Dichlorobenzamil
CAS: 1166-01-4
CID: 114771
Formula: C13H12Cl3N7O
MW: 388.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight388.6
XLogP33
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass387.016891
Monoisotopic Mass387.016891
Topological Polar Surface Area145 Ų
Heavy Atom Count24
Formal Charge0
Complexity480
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
DMB62115-013′,4′-Dichlorobenzamil hydrochloride
MBS57761183',4'-Dichlorobenzamil HCl
MBS565603-012',4'-Dichlorobenzamil. HCl
HY-164684Dichlorobenzamil
sc-2001972',4'-Dichlorobenzamil • HCl
B810001Butyric Anhydride-3,3,3',3',4,4,4,4',4',4'-d10
TRC-P227543-100MG3,3,4,4,4-Pentafluorobutylamine
TRC-H591292-25MGDL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-H591362-5MGL-Homocystine-3,3,3’,3’,4,4,4’,4’-d8
TRC-H591292-250MGDL-Homocystine-3,3,3',3',4,4,4',4'-d8

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