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RTI-51

CAT: 0931-T202777-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T202777-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135367-08-7
Bioactivity
RTI-51 significantly enhances locomotor activity and holds potential as a treatment compound for cocaine use. It exhibits a highly effective, selective, and long-lasting substitution effect, which can reduce drug-seeking behavior.
Smiles
C(OC)(=O)[C@H]1[C@H](C[C@]2(N(C)[C@@]1(CC2)[H])[H])C3=CC=C(Br)C=C3
Molecular Formula
C16H20BrNO2
Molecular Weight
338.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS Number135367-08-7
PubChem CID57340111
IUPAC Namemethyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular FormulaC16H20BrNO2
Molecular Weight338.24
XLogP3.3
Topological Polar Surface Area29.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count20
Formal Charge0
Complexity367
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)Br)C(=O)OC
InChI
InChI=1S/C16H20BrNO2/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10/h3-6,12-15H,7-9H2,1-2H3/t12-,13+,14+,15-/m0/s1
InChIKey
HNVGNUVAMRLMSG-YJNKXOJESA-N
Chemical Structure
2D Structure
2D structure of Methyl (1R,2S,3S,5S)-3-(4-bromophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS: 135367-08-7
CID: 57340111
Formula: C16H20BrNO2
MW: 338.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.24
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass337.06774
Monoisotopic Mass337.06774
Topological Polar Surface Area29.5 Ų
Heavy Atom Count20
Formal Charge0
Complexity367
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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