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Repinotan

CAT: 0013-GTR19186584-05Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19186584-05Size:50 mg
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Description
Repinotan (BAY x 3702) is a brain-penetrant, selective 5-HT1A receptor agonist with neuroprotective properties. Its research applications include studies of acute ischemic stroke and traumatic brain injury, where it has demonstrated in vivo efficacy in models of neuroprotection and opioid-induced respiratory depression.
CAS Number
144980-29-0
Product Name Alternative
BAY x 3702 free base, 5HTReceptor, 5HT Receptor, 5-HT1A
Field of Research
Neuroscience, Pharmacology & Drug Discovery
Purity
99.00% (May vary between batches)
Smiles
O=C1C=2C (S (=O) (=O) N1CCCCNC[C@@H]3OC=4C (CC3) =CC=CC4) =CC=CC2
Molecular Formula
C21H24N2O4S
Molecular Weight
400.49
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Repinotan

Repinotan is a high-affinity, selective, full agonist of the 5HT1A-receptor subtype with neuroprotective properties.

CAS Number144980-29-0
PubChem CID198757
IUPAC Name2-[4-[[(2R)-3,4-dihydro-2H-chromen-2-yl]methylamino]butyl]-1,1-dioxo-1,2-benzothiazol-3-one
Molecular FormulaC21H24N2O4S
Molecular Weight400.5
XLogP3
Topological Polar Surface Area84.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count28
Formal Charge0
Complexity647
SMILES
C1CC2=CC=CC=C2O[C@H]1CNCCCCN3C(=O)C4=CC=CC=C4S3(=O)=O
InChI
InChI=1S/C21H24N2O4S/c24-21-18-8-2-4-10-20(18)28(25,26)23(21)14-6-5-13-22-15-17-12-11-16-7-1-3-9-19(16)27-17/h1-4,7-10,17,22H,5-6,11-15H2/t17-/m1/s1
InChIKey
YGYBFMRFXNDIPO-QGZVFWFLSA-N
Chemical Structure
2D Structure
2D structure of Repinotan
CAS: 144980-29-0
CID: 198757
Formula: C21H24N2O4S
MW: 400.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight400.5
XLogP33
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass400.14567842
Monoisotopic Mass400.14567842
Topological Polar Surface Area84.1 Ų
Heavy Atom Count28
Formal Charge0
Complexity647
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T61934-01Repinotan
M34394-01Repinotan HCl
TRC-R144545-50MGRepinotan Hydrochloride
HY-12959A-01Repinotan (hydrochloride)

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