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PNU 22394 hydrochloride

CAT: 0607-B6973-10Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0607-B6973-10Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
5-HT2C agonist and partial 5-HT2A/5-HT2B agonist
CAS Number
15923-42-9
Product Name Alternative
(R)-6-methyl-1,2,3,4,5,6-hexahydroazepino[4,5-b]indol-6-ium chloride
Field of Research
GPCR G protein 5-HT Receptor
Purity
0.98
Form
Off-white solid
Solubility
<23.67mg/ml in H2O
Smiles
C[N@@H+]1C(CCNCC2)=C2C3=CC=CC=C13.[Cl-]
Molecular Formula
C13H16N2·HCl
Molecular Weight
236.74
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

Pnu-22394 hydrochloride
CAS Number15923-42-9
PubChem CID16759162
IUPAC Name6-methyl-2,3,4,5-tetrahydro-1H-azepino[4,5-b]indole;hydrochloride
Molecular FormulaC13H17ClN2
Molecular Weight236.74
Topological Polar Surface Area17
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count16
Formal Charge0
Complexity229
SMILES
CN1C2=C(CCNCC2)C3=CC=CC=C31.Cl
InChI
InChI=1S/C13H16N2.ClH/c1-15-12-5-3-2-4-10(12)11-6-8-14-9-7-13(11)15;/h2-5,14H,6-9H2,1H3;1H
InChIKey
SAIGGEUWSYESTR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Pnu-22394 hydrochloride
CAS: 15923-42-9
CID: 16759162
Formula: C13H17ClN2
MW: 236.74
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight236.74
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass236.1080262
Monoisotopic Mass236.1080262
Topological Polar Surface Area17 Ų
Heavy Atom Count16
Formal Charge0
Complexity229
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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