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Screening compounds

Iometopane

Also known as beta-CIT, 2beta-Carbomethoxy-3beta-(4-iodophenyl)tropane, RTI 4229-98

CAS 135416-43-2Formula C16H20INO2Molar mass 385.25 g/mol
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Iometopane chemical structure, C16H20INO2, CAS 135416-43-2
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
135416-43-2
Formula
C16H20INO2
Molar mass
385.25 g/mol
HS code
293399
Category
Screening compounds

What is Iometopane?

Plain description, key identifiers and synonyms

Iometopane is an organic molecular entity.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
CAS number
135416-43-2Other or deprecated CAS: 133647-95-7
Molecular formula
C16H20INO2
UNII
4H1Z7121WS
InChIKey
SIIICDNNMDMWCI-YJNKXOJESA-N
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
Canonical SMILES
COC(=O)C1C(c2ccc(I)cc2)CC2CCC1N2C
Isomeric SMILES
CN1[C@H]2CC[C@@H]1[C@H]([C@H](C2)C3=CC=C(C=C3)I)C(=O)OC

Synonyms

  • beta-CIT
  • 2beta-Carbomethoxy-3beta-(4-iodophenyl)tropane
  • RTI 4229-98
  • 2-Carbomethoxy-3-(4-iodophenyl)tropane
  • 3-(4-Iodophenyl)tropane-2-carboxylic acid methyl ester
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-iodophenyl)-8-methyl-, methyl ester, (1R-(exo,exo))-
  • Methyl (1R,2S,3S,5S)-3-(4-iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylate
  • 8-Azabicyclo(3.2.1)octane-2-carboxylic acid, 3-(4-iodophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
  • 8-azabicyclo[3.2.1]octane-2-carboxylic acid, 3-(4-iodophenyl)-8-methyl-, methyl ester, (1R,2S,3S,5S)-
  • Caindexname:8-azabicyclo[3.2.1]octane-2-carboxylic
  • PDSP2_000645
  • 2b-Carbomethoxy-3b-(4-iodophenyl)tropane
  • 3beta-(4-iodophenyl)-2beta-(carbomethoxy)tropane
  • RTI 55, (exo,exo)-isomer, Iodine (125) labeled
  • (1R,2S,3S,5S)-3-(4-Iodophenyl)-8-methyl-8-azabicyclo[3.2.1]octane-2-carboxylicacid methyl ester

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
385.25 g/molcalc.
Exact mass
385.0539 Dacalc.
LogP (octanol/water)
3.03calc.
Topological polar surface area
29.54 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
20calc.
Rings
3calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.56calc.
Formal charge
0calc.
Stereocentres
4calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccc(C2CC3CCC(C2)N3)cc1

c1ccc(C2CC3CCC(C2)N3)cc1

3 rings, 14 atoms, the 3-Phenyl-8-azabicyclo[3.2.1]octane ring system.

177 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Iometopane suppliers

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Iometopane price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Radiopharmaceuticals

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Iometopane is traded under.

HS 2933.99Indicative HS code

Heterocyclic compounds with nitrogen hetero-atom(s) only, other

World exports in 2024
$12.1B
−31.0% vs 2023, imports $28.8B
2019 to 2024
Top exporters
  1. China30.5%
  2. India * partner reported16.3%
  3. Ireland9.0%
Top importers
  1. Slovenia31.7%
  2. Italy24.2%
  3. United States5.0%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Iometopane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Iometopane, based on the data on this page

What is Iometopane?

Iometopane is an organic molecular entity.

What is the CAS number of Iometopane?

The CAS registry number of Iometopane is 135416-43-2. Other or deprecated CAS numbers: 133647-95-7.

What is the molecular formula and weight of Iometopane?

The molecular formula of Iometopane is C16H20INO2 and its molar mass is 385.25 g/mol.

What is Iometopane used for?

Known uses and roles of Iometopane include building blocks in research and laboratory, screening compounds in research and laboratory and radiopharmaceuticals.

Is Iometopane hazardous?

No GHS hazard classification for Iometopane is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Iometopane?

Iometopane is usually classified under HS code 293399 (Heterocyclic compounds with nitrogen hetero-atom(s) only, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Iometopane?

Post a free request on CompoundList and suppliers of Iometopane will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Iometopane?

Suppliers quote Iometopane on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Iometopane

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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