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CP 93129 dihydrochloride

CAT: 0607-B6558-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6558-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-HT1B agonist, potent and highly selective
CAS Number
879089-64-2
Product Name Alternative
3-(1,2,3,6-tetrahydropyridin-4-yl)-1H-pyrrolo[3,2-b]pyridin-5-ol dihydrochloride
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Form
Cream solid
Solubility
Soluble to 100 mM in H2O
Smiles
OC1=NC(C(C2=CCNCC2)=CN3)=C3C=C1.Cl.Cl
Molecular Formula
C12H13N3O·2HCl
Molecular Weight
288.18
Shipping Conditions
Blue ice
Storage Conditions
Desiccate at RT.

Chemical Information

1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol(3,2-b)pyridin-5-one dihydrochloride
CAS Number879089-64-2
PubChem CID46927988
IUPAC Name3-(1,2,3,6-tetrahydropyridin-4-yl)-1,4-dihydropyrrolo[3,2-b]pyridin-5-one;dihydrochloride
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.17
Topological Polar Surface Area56.9
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count18
Formal Charge0
Complexity361
SMILES
C1CNCC=C1C2=CNC3=C2NC(=O)C=C3.Cl.Cl
InChI
InChI=1S/C12H13N3O.2ClH/c16-11-2-1-10-12(15-11)9(7-14-10)8-3-5-13-6-4-8;;/h1-3,7,13-14H,4-6H2,(H,15,16);2*1H
InChIKey
FLVJHUZZKVJQNH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,4-dihydro-3-(1,2,3,6-tetrahydro-4-pyridinyl)-5H-pyrrol(3,2-b)pyridin-5-one dihydrochloride
CAS: 879089-64-2
CID: 46927988
Formula: C12H15Cl2N3O
MW: 288.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight288.17
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass287.0592175
Monoisotopic Mass287.0592175
Topological Polar Surface Area56.9 Ų
Heavy Atom Count18
Formal Charge0
Complexity361
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count3
Compound Is CanonicalizedYes

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