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KB-R7943 mesylate

CAT: 0607-A3525-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-A3525-50Size:50 mg
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Description
Inhibitor of the reverse mode of the Na+/Ca2+ exchanger
CAS Number
182004-65-5
Product Name Alternative
methanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Sequence
KB-R7943; KB-R 7943
Field of Research
Membrane Transporter Ion Channel Na+ Ca2+ Exchanger
Purity
0.9875
Solubility
≥42.8 mg/mL in DMSO; insoluble in H2O; ≥4.61 mg/mL in EtOH with gentle warming and ultrasonic
Smiles
CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
Molecular Formula
C17H21N3O6S2
Molecular Weight
427.5
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate

KB-R7943 is an organic molecular entity.

CAS Number182004-65-5
PubChem CID9823846
IUPAC Namemethanesulfonic acid;2-[4-[(4-nitrophenyl)methoxy]phenyl]ethyl carbamimidothioate
Molecular FormulaC17H21N3O6S2
Molecular Weight427.5
Topological Polar Surface Area193
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity479
SMILES
CS(=O)(=O)O.C1=CC(=CC=C1CCSC(=N)N)OCC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C16H17N3O3S.CH4O3S/c17-16(18)23-10-9-12-3-7-15(8-4-12)22-11-13-1-5-14(6-2-13)19(20)21;1-5(2,3)4/h1-8H,9-11H2,(H3,17,18);1H3,(H,2,3,4)
InChIKey
WGIKEBHIKKWJLG-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-(4-(4-Nitrobenzyloxy)phenyl)ethyl)isothiourea methanesulfonate
CAS: 182004-65-5
CID: 9823846
Formula: C17H21N3O6S2
MW: 427.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight427.5
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count8
Rotatable Bond Count7
Exact Mass427.08717775
Monoisotopic Mass427.08717775
Topological Polar Surface Area193 Ų
Heavy Atom Count28
Formal Charge0
Complexity479
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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CatalogName
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A11933-10KB-R7943 mesylate 10mg
A11933-5KB-R7943 mesylate 5mg
A11933-50KB-R7943 mesylate 50mg
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