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U-89843A

CAT: 0931-T78560-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T78560-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
157013-85-9
Target
GABA Receptor
Related Pathways
Neuroscience, Membrane transporter/Ion channel
Bioactivity
U-89843A, an allosteric modulator of the GABA_A receptor, enhances GABA-induced Cl^- currents [1].
Smiles
CN1C=2C(=C(N=C(N2)N3CCCC3)N4CCCC4)C=C1C.Cl
Molecular Formula
C16H24ClN5
Molecular Weight
321.85
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6,7-Dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine;hydrochloride
CAS Number157013-85-9
PubChem CID56972182
IUPAC Name6,7-dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine;hydrochloride
Molecular FormulaC16H24ClN5
Molecular Weight321.8
Topological Polar Surface Area37.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Heavy Atom Count22
Formal Charge0
Complexity364
SMILES
CC1=CC2=C(N1C)N=C(N=C2N3CCCC3)N4CCCC4.Cl
InChI
InChI=1S/C16H23N5.ClH/c1-12-11-13-14(19(12)2)17-16(21-9-5-6-10-21)18-15(13)20-7-3-4-8-20;/h11H,3-10H2,1-2H3;1H
InChIKey
MNKBXPNQWKUSKU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6,7-Dimethyl-2,4-dipyrrolidin-1-ylpyrrolo[2,3-d]pyrimidine;hydrochloride
CAS: 157013-85-9
CID: 56972182
Formula: C16H24ClN5
MW: 321.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight321.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count2
Exact Mass321.1720235
Monoisotopic Mass321.1720235
Topological Polar Surface Area37.2 Ų
Heavy Atom Count22
Formal Charge0
Complexity364
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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