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BI-9627 hydrochloride

CAT: 0931-T23800Size: 2 mgDry Ice: NoHazardous: No
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CAT#:0931-T23800Size:2 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1422252-46-7
Target
Sodium Channel, Others
Related Pathways
Others, Membrane transporter/Ion channel
Bioactivity
BIX HCl is a sodium-hydrogen exchange type 1 inhibitor.
Smiles
Cl.CC(=O)N1CCC(CC1)c1ccc(cc1C(F)(F)F)C(=O)NC(N)=N
Molecular Formula
C16H20ClF3N4O2
Molecular Weight
392.8
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BIX HCl
CAS Number1422252-46-7
PubChem CID121513866
IUPAC Name4-(1-acetylpiperidin-4-yl)-N-(diaminomethylidene)-3-(trifluoromethyl)benzamide;hydrochloride
Molecular FormulaC16H20ClF3N4O2
Molecular Weight392.80
Topological Polar Surface Area102
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Heavy Atom Count26
Formal Charge0
Complexity538
SMILES
CC(=O)N1CCC(CC1)C2=C(C=C(C=C2)C(=O)N=C(N)N)C(F)(F)F.Cl
InChI
InChI=1S/C16H19F3N4O2.ClH/c1-9(24)23-6-4-10(5-7-23)12-3-2-11(14(25)22-15(20)21)8-13(12)16(17,18)19;/h2-3,8,10H,4-7H2,1H3,(H4,20,21,22,25);1H
InChIKey
SLSZLEROFKLICF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BIX HCl
CAS: 1422252-46-7
CID: 121513866
Formula: C16H20ClF3N4O2
MW: 392.80
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.80
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count2
Exact Mass392.1226881
Monoisotopic Mass392.1226881
Topological Polar Surface Area102 Ų
Heavy Atom Count26
Formal Charge0
Complexity538
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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