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ABT-866

CAT: 0931-T29533-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T29533-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
258526-74-8
Target
Others
Related Pathways
Others
Bioactivity
ABT-866 is a novel alpha-adrenoceptor agent with mixed pharmacological properties.
Smiles
N(S(CC)(=O)=O)C1=CC(CC2=CN=CN2)=CC=C1
Molecular Formula
C12H15N3O2S
Molecular Weight
265.33
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Abt-866

an alpha1-adrenoceptor ligand; structure in first source

CAS Number258526-74-8
PubChem CID9838192
IUPAC NameN-[3-(1H-imidazol-5-ylmethyl)phenyl]ethanesulfonamide
Molecular FormulaC12H15N3O2S
Molecular Weight265.33
XLogP1.4
Topological Polar Surface Area83.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count18
Formal Charge0
Complexity353
SMILES
CCS(=O)(=O)NC1=CC=CC(=C1)CC2=CN=CN2
InChI
InChI=1S/C12H15N3O2S/c1-2-18(16,17)15-11-5-3-4-10(6-11)7-12-8-13-9-14-12/h3-6,8-9,15H,2,7H2,1H3,(H,13,14)
InChIKey
ROUIPNDCVDWYEH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Abt-866
CAS: 258526-74-8
CID: 9838192
Formula: C12H15N3O2S
MW: 265.33
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight265.33
XLogP31.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass265.08849790
Monoisotopic Mass265.08849790
Topological Polar Surface Area83.2 Ų
Heavy Atom Count18
Formal Charge0
Complexity353
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

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