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SB 206553 hydrochloride

CAT: 0013-GTR19200863-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19200863-01Size:1 mg
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Description
SB 206553 hydrochloride is a selective 5-HT2C inverse agonist and 5-HT2B antagonist with oral activity. It is used in neuroscience research to study anxiety-related behaviors and receptor functions in both in vitro binding assays and in vivo animal models.
CAS Number
1197334-04-5
Product Name Alternative
SB206553 hydrochloride, SB-206553 Hydrochloride
Field of Research
Infectious Disease & Virology, Neuroscience, Pharmacology & Drug Discovery, Protein Biochemistry
Purity
99.56% (May vary between batches)
Solubility
DMSO:25 mg/mL (76.03 mM)
Smiles
Cl.O=C (NC=1C=NC=CC1) N2C3=CC=4C=CN (C4C=C3CC2) C
Molecular Formula
C17H17ClN4O
Molecular Weight
328.8
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB 206553 hydrochloride
CAS Number1197334-04-5
PubChem CID11957707
IUPAC Name1-methyl-N-pyridin-3-yl-6,7-dihydropyrrolo[2,3-f]indole-5-carboxamide;hydrochloride
Molecular FormulaC17H17ClN4O
Molecular Weight328.8
Topological Polar Surface Area50.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count23
Formal Charge0
Complexity429
SMILES
CN1C=CC2=CC3=C(CCN3C(=O)NC4=CN=CC=C4)C=C21.Cl
InChI
InChI=1S/C17H16N4O.ClH/c1-20-7-4-12-10-16-13(9-15(12)20)5-8-21(16)17(22)19-14-3-2-6-18-11-14;/h2-4,6-7,9-11H,5,8H2,1H3,(H,19,22);1H
InChIKey
VGEMBOFBPSNOIO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB 206553 hydrochloride
CAS: 1197334-04-5
CID: 11957707
Formula: C17H17ClN4O
MW: 328.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight328.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass328.1090889
Monoisotopic Mass328.1090889
Topological Polar Surface Area50.2 Ų
Heavy Atom Count23
Formal Charge0
Complexity429
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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