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A 31472

CAT: 0931-T26415-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0931-T26415-01Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
69319-52-4
Target
Others, Dopamine Receptor
Related Pathways
Neuroscience, GPCR/G Protein, Others
Bioactivity
A 31472 is a tetracyclic spiro amine that has affinity for dopamine D-2 receptors.
Smiles
ClC=1C=C2[C@@]3(C=4C(C=CC2=CC1)=CC=CC4)CC[C@@H](N(C)C)C=C3
Molecular Formula
C22H22ClN
Molecular Weight
335.87
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

A 31472

structure given in first source; has affinity for dopamine D-2 receptors

CAS Number69319-52-4
PubChem CID3038603
IUPAC Name5'-chloro-N,N-dimethylspiro[cyclohex-2-ene-4,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene]-1-amine
Molecular FormulaC22H22ClN
Molecular Weight335.9
XLogP5.9
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Heavy Atom Count24
Formal Charge0
Complexity510
SMILES
CN(C)C1CCC2(C=C1)C3=CC=CC=C3C=CC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C22H22ClN/c1-24(2)19-11-13-22(14-12-19)20-6-4-3-5-16(20)7-8-17-9-10-18(23)15-21(17)22/h3-11,13,15,19H,12,14H2,1-2H3
InChIKey
FZXSXMYFIZKXPT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of A 31472
CAS: 69319-52-4
CID: 3038603
Formula: C22H22ClN
MW: 335.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight335.9
XLogP35.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass335.1440774
Monoisotopic Mass335.1440774
Topological Polar Surface Area3.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity510
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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