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Bumepidil

CAT: 0931-T202041-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T202041-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
62052-97-5
Bioactivity
Bumepidil (also known as CS-611) is an intravenously administered coronary vasodilator that also exhibits antiarrhythmic properties.
Smiles
N=1C=NN2C1N=C(C3=C2N(CC3)C(C)(C)C)C
Molecular Formula
C12H17N5
Molecular Weight
231.3
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Bumepidil

Bumepidil is a small molecule drug. The usage of the INN stem '-dil' in the name indicates that Bumepidil is a vasodilator. Bumepidil has a monoisotopic molecular weight of 231.15 Da.

CAS Number62052-97-5
PubChem CID68813
IUPAC Name3-tert-butyl-7-methyl-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene
Molecular FormulaC12H17N5
Molecular Weight231.30
XLogP2
Topological Polar Surface Area46.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity300
SMILES
CC1=NC2=NC=NN2C3=C1CCN3C(C)(C)C
InChI
InChI=1S/C12H17N5/c1-8-9-5-6-16(12(2,3)4)10(9)17-11(15-8)13-7-14-17/h7H,5-6H2,1-4H3
InChIKey
NJJPSFAJAKVSST-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bumepidil
CAS: 62052-97-5
CID: 68813
Formula: C12H17N5
MW: 231.30
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.30
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass231.14839556
Monoisotopic Mass231.14839556
Topological Polar Surface Area46.3 Ų
Heavy Atom Count17
Formal Charge0
Complexity300
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

Alternative Products

CatalogName
GTR19242517-01Bumepidil

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