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RTI-371

CAT: 0931-T28620-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T28620-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
652978-45-5
Target
Others
Related Pathways
Others
Bioactivity
RTI-371 is a potent and selective dopamine reuptake inhibitor in vitro.
Smiles
CN1[C@]2([C@H]([C@H](C[C@@]1(CC2)[H])C3=CC=C(C)C=C3)C4=CC(=NO4)C5=CC=C(Cl)C=C5)[H]
Molecular Formula
C24H25ClN2O
Molecular Weight
392.92
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,2S,3S,5S)-2-(3-(4-Chlorophenyl)-5-isoxazolyl)-8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane
CAS Number652978-45-5
PubChem CID11474847
IUPAC Name3-(4-chlorophenyl)-5-[(1R,2S,3S,5S)-8-methyl-3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-2-yl]-1,2-oxazole
Molecular FormulaC24H25ClN2O
Molecular Weight392.9
XLogP5.6
Topological Polar Surface Area29.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity529
SMILES
CC1=CC=C(C=C1)[C@H]2C[C@@H]3CC[C@H]([C@H]2C4=CC(=NO4)C5=CC=C(C=C5)Cl)N3C
InChI
InChI=1S/C24H25ClN2O/c1-15-3-5-16(6-4-15)20-13-19-11-12-22(27(19)2)24(20)23-14-21(26-28-23)17-7-9-18(25)10-8-17/h3-10,14,19-20,22,24H,11-13H2,1-2H3/t19-,20+,22+,24-/m0/s1
InChIKey
MUVQRHMVRFZUGP-IKJKNFHUSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,3S,5S)-2-(3-(4-Chlorophenyl)-5-isoxazolyl)-8-methyl-3-(4-methylphenyl)-8-azabicyclo(3.2.1)octane
CAS: 652978-45-5
CID: 11474847
Formula: C24H25ClN2O
MW: 392.9
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight392.9
XLogP35.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass392.1655411
Monoisotopic Mass392.1655411
Topological Polar Surface Area29.3 Ų
Heavy Atom Count28
Formal Charge0
Complexity529
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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