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BETA-CFT sulfate

CAT: 0931-T7734-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-T7734-02Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2068138-14-5
Target
Others
Related Pathways
Others
Purity
0.98
Bioactivity
BETA-CFT sulfate is a derivative of BETA-CFT, an antagonist of dopamine transporter proteins (DATs) .
Smiles
OS(O)(=O)=O.[H][C@]12CC[C@]([H])([C@H]([C@H](C1)c1ccc(F)cc1)C(=O)OC)N2C
Molecular Formula
C16H22FNO6S
Molecular Weight
375.4
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

(1R,2S,3S,5S)-Methyl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate sulfate
CAS Number2068138-14-5
PubChem CID123134785
IUPAC Namemethyl (1R,2S,3S,5S)-3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate;sulfuric acid
Molecular FormulaC16H22FNO6S
Molecular Weight375.4
Topological Polar Surface Area113
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Heavy Atom Count25
Formal Charge0
Complexity449
SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)F)C(=O)OC.OS(=O)(=O)O
InChI
InChI=1S/C16H20FNO2.H2O4S/c1-18-12-7-8-14(18)15(16(19)20-2)13(9-12)10-3-5-11(17)6-4-10;1-5(2,3)4/h3-6,12-15H,7-9H2,1-2H3;(H2,1,2,3,4)/t12-,13+,14+,15-;/m0./s1
InChIKey
SUAXVLCUJZPGAF-PEVLCXCCSA-N
Chemical Structure
2D Structure
2D structure of (1R,2S,3S,5S)-Methyl 3-(4-fluorophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate sulfate
CAS: 2068138-14-5
CID: 123134785
Formula: C16H22FNO6S
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count3
Exact Mass375.11518676
Monoisotopic Mass375.11518676
Topological Polar Surface Area113 Ų
Heavy Atom Count25
Formal Charge0
Complexity449
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
MBS5758616BETA-CFT sulfate
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AR-E10469-01Estriol-3-Sulfate-16-beta-D-Glucuronide
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