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RTI-55

CAT: 0931-T28621-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0931-T28621-01Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
135416-43-2
Target
Others
Related Pathways
Others
Bioactivity
RTI-55 is an inhibitor of non-selective dopamine reuptake.
Smiles
C(OC)(=O)[C@H]1[C@H](C[C@]2(N(C)[C@@]1(CC2)[H])[H])C3=CC=C(I)C=C3
Molecular Formula
C16H20INO2
Molecular Weight
385.24
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Iometopane

Iometopane is an organic molecular entity.

CAS Number135416-43-2
PubChem CID108220
IUPAC Namemethyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
Molecular FormulaC16H20INO2
Molecular Weight385.24
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)I)C(=O)OC
InChI
InChI=1S/C16H20INO2/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
SIIICDNNMDMWCI-YJNKXOJESA-N
Chemical Structure
2D Structure
2D structure of Iometopane
CAS: 135416-43-2
CID: 108220
Formula: C16H20INO2
MW: 385.24
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight385.24
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass385.05388
Monoisotopic Mass385.05388
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