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SB236057

CAT: 0013-GTR19196802-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196802-02Size:100 mg
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Description
SB236057 is a potent and selective 5-HT receptor inverse agonist, notably targeting autoreceptors to rapidly elevate brain serotonin levels. This compound is utilized in neuropharmacology research to study serotonin regulation and has demonstrated teratogenic effects in rodent pregnancy models, causing severe musculoskeletal malformations.
CAS Number
180083-49-2
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Smiles
C (=O) (N1C=2C=C3C4 (COC3=CC2CC1) CCN (CC) CC4) C5=CC=C (C=C5) C6=C (C) C=C (C=C6) C=7OC (C) =NN7
Molecular Formula
C33H34N4O3
Molecular Weight
534.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

SB-236057

structure in first source

CAS Number180083-49-2
PubChem CID5311426
IUPAC Name(1'-ethylspiro[6,7-dihydro-2H-furo[2,3-f]indole-3,4'-piperidine]-5-yl)-[4-[2-methyl-4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]phenyl]methanone
Molecular FormulaC33H34N4O3
Molecular Weight534.6
XLogP5.6
Topological Polar Surface Area71.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity900
SMILES
CCN1CCC2(CC1)COC3=C2C=C4C(=C3)CCN4C(=O)C5=CC=C(C=C5)C6=C(C=C(C=C6)C7=NN=C(O7)C)C
InChI
InChI=1S/C33H34N4O3/c1-4-36-15-12-33(13-16-36)20-39-30-18-25-11-14-37(29(25)19-28(30)33)32(38)24-7-5-23(6-8-24)27-10-9-26(17-21(27)2)31-35-34-22(3)40-31/h5-10,17-19H,4,11-16,20H2,1-3H3
InChIKey
WXAKEEQOWUHGCI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of SB-236057
CAS: 180083-49-2
CID: 5311426
Formula: C33H34N4O3
MW: 534.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight534.6
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass534.26309096
Monoisotopic Mass534.26309096
Topological Polar Surface Area71.7 Ų
Heavy Atom Count40
Formal Charge0
Complexity900
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T28685-01SB236057

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