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BA 41899

CAT: 0931-T30286-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T30286-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
166020-57-1
Target
Calcium Channel, Others
Related Pathways
Others, Metabolism, Membrane transporter/Ion channel
Bioactivity
BA 41899 is a positive inotropic Ca (2+) -sensitizing agent.
Smiles
CN1C2(C=3C(NC(=O)C(C2)C1=O)=CC=CC3)C4=CC=CC=C4
Molecular Formula
C18H16N2O2
Molecular Weight
292.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

BA 41899

a 1,5-benzodiazocine derivative; a positive inotropic Ca(2+)-sensitizing agent; CGP-48506 is the (+)-isomer; CGP-48508 is the (-)-isomer; structure given in first source

CAS Number166020-57-1
PubChem CID133070
IUPAC Name12-methyl-1-phenyl-8,12-diazatricyclo[8.2.1.02,7]trideca-2,4,6-triene-9,11-dione
Molecular FormulaC18H16N2O2
Molecular Weight292.3
XLogP2
Topological Polar Surface Area49.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count22
Formal Charge0
Complexity485
SMILES
CN1C(=O)C2CC1(C3=CC=CC=C3NC2=O)C4=CC=CC=C4
InChI
InChI=1S/C18H16N2O2/c1-20-17(22)13-11-18(20,12-7-3-2-4-8-12)14-9-5-6-10-15(14)19-16(13)21/h2-10,13H,11H2,1H3,(H,19,21)
InChIKey
HIRPMCAAOWFCHY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of BA 41899
CAS: 166020-57-1
CID: 133070
Formula: C18H16N2O2
MW: 292.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight292.3
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass292.121177757
Monoisotopic Mass292.121177757
Topological Polar Surface Area49.4 Ų
Heavy Atom Count22
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count2
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5779922BA 41899

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