Products for Research Use Only
RegisterLogin

Repinotan

CAT: 0931-T61934-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T61934-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
144980-29-0
Target
5-HT Receptor
Related Pathways
GPCR/G Protein, Neuroscience
Purity
0.99
Bioactivity
Repinotan (BAY x 3702 free base) is an orally active, selective 5-HT1A receptor agonist that crosses the blood-brain barrier (BBB), exhibits neuroprotective activity, counteracts morphine-induced depression of ventilation in anesthetized rats, and may be used in studies of acute ischemic stroke and traumatic brain injury.
Smiles
O=C1C=2C(S(=O)(=O)N1CCCCNC[C@@H]3OC=4C(CC3)=CC=CC4)=CC=CC2
Molecular Formula
C21H24N2O4S
Molecular Weight
400.49
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
M35607-01Repinotan
GTR19196637-01Repinotan HCl
TRC-R144545-50MGRepinotan Hydrochloride
HY-12959A-01Repinotan (hydrochloride)

Popular Products