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BMS 180448

CAT: 0931-T30487-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T30487-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
144264-47-1
Target
Others
Related Pathways
Others
Bioactivity
BMS 180448 is a prototype mitochondrial ATP-sensitive K+ (Mitok (ATP) ) channel opener with cardioprotective and vasodilating properties.
Smiles
N(=C(NC1=CC=C(Cl)C=C1)NC#N)[C@H]2C=3C(OC(C)(C)[C@@H]2O)=CC=C(C#N)C3
Molecular Formula
C20H18ClN5O2
Molecular Weight
395.84
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bms 180448

a potassium channel opener with cardioprotective and vasodilator properties; BMS-180426 is enantiomer with no antiischemic activity; structure in first source

CAS Number144264-47-1
PubChem CID122031
IUPAC Name1-(4-chlorophenyl)-3-cyano-2-[(3R,4S)-6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl]guanidine
Molecular FormulaC20H18ClN5O2
Molecular Weight395.8
XLogP3.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count28
Formal Charge0
Complexity685
SMILES
CC1([C@@H]([C@H](C2=C(O1)C=CC(=C2)C#N)N=C(NC#N)NC3=CC=C(C=C3)Cl)O)C
InChI
InChI=1S/C20H18ClN5O2/c1-20(2)18(27)17(15-9-12(10-22)3-8-16(15)28-20)26-19(24-11-23)25-14-6-4-13(21)5-7-14/h3-9,17-18,27H,1-2H3,(H2,24,25,26)/t17-,18+/m0/s1
InChIKey
VLICJSLDCJXZBG-ZWKOTPCHSA-N
Chemical Structure
2D Structure
2D structure of Bms 180448
CAS: 144264-47-1
CID: 122031
Formula: C20H18ClN5O2
MW: 395.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight395.8
XLogP33.4
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass395.1149025
Monoisotopic Mass395.1149025
Topological Polar Surface Area113 Ų
Heavy Atom Count28
Formal Charge0
Complexity685
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5780120BMS 180448

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