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Isotope-labelled compounds

(18F)Xtra

Also known as Xtra F-18, (-)-7-Methyl-2-exo-(3-(2-(fluoro-18F)-pyridin-3-yl)-5-pyridinyl)-7-azabicyclo(2.2.1)heptane, (1S,3R,4R)-3-(5-(2-(18F)Fluoranyl-3-pyridyl)-3-pyridyl)-7-methyl-7-azabicyclo(2.2.1)heptane

CAS 1044503-85-6Formula C17H18FN3Molar mass 282.35 g/mol
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(18F)Xtra chemical structure, C17H18FN3, CAS 1044503-85-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
1044503-85-6
Formula
C17H18FN3
Molar mass
282.35 g/mol
HS code
284443
Category
Isotope-labelled compounds

What is (18F)Xtra?

Plain description, key identifiers and synonyms

(18F)Xtra is a chemical substance with the molecular formula C17H18FN3 and a molar mass of 282.35 g/mol. Its CAS registry number is 1044503-85-6. The IUPAC name is (1R,2R,4S)-2-[5-(2-(18F)fluoro-3-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
(1R,2R,4S)-2-[5-(2-(18F)fluoro-3-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane
CAS number
1044503-85-6
Molecular formula
C17H18FN3
UNII
03K6PV11JY
InChIKey
ASRVLPPSPFUIAG-XOSDRLIHSA-N
InChI
InChI=1S/C17H18FN3/c1-21-13-4-5-16(21)15(8-13)12-7-11(9-19-10-12)14-3-2-6-20-17(14)18/h2-3,6-7,9-10,13,15-16H,4-5,8H2,1H3/t13-,15+,16+/m0/s1/i18-1
Canonical SMILES
CN1C2CCC1C(c1cncc(-c3cccnc3F)c1)C2
Isomeric SMILES
CN1[C@H]2CC[C@@H]1[C@H](C2)C3=CN=CC(=C3)C4=C(N=CC=C4)[18F]

Synonyms

  • Xtra F-18
  • (-)-7-Methyl-2-exo-(3-(2-(fluoro-18F)-pyridin-3-yl)-5-pyridinyl)-7-azabicyclo(2.2.1)heptane
  • (1S,3R,4R)-3-(5-(2-(18F)Fluoranyl-3-pyridyl)-3-pyridyl)-7-methyl-7-azabicyclo(2.2.1)heptane
  • 7-Azabicyclo(2.2.1)heptane, 2-(2'-(fluoro-18F)(3,3'-bipyridin)-5-yl)-7-methyl-, (1R,2R,4S)-rel-(+)-

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
282.35 g/molcalc.
Exact mass
282.151 Dacalc.
LogP (octanol/water)
3.23calc.
Topological polar surface area
29.02 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
2calc.
Heavy atoms
21calc.
Rings
4calc.
Aromatic rings
2calc.
Fraction sp3 carbons
0.41calc.
Formal charge
0calc.
Stereocentres
3calc.
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, c1cncc(-c2cncc(C3CC4CCC3N4)c2)c1

c1cncc(-c2cncc(C3CC4CCC3N4)c2)c1

4 rings, 19 atoms.

1 other chemical 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.

(18F)Xtra suppliers

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(18F)Xtra price

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Uses and applications

What the substance is used for, by industry and function

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 (18F)Xtra is traded under.

HS 2844.43Indicative HS code

Radioactive elements and isotopes and compounds other than those of subheading 284410…

World exports in 2024
$2.19B
+8.8% vs 2023, imports $2.53B
2022 to 2024
Top exporters
  1. Canada32.1%
  2. Netherlands17.0%
  3. Germany11.4%
Top importers
  1. United States37.8%
  2. Germany8.4%
  3. China5.8%
Reported customs values in USD, not prices.Full trade data

The HS code shown for (18F)Xtra is indicative (it is known at chapter level only). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about (18F)Xtra, based on the data on this page

What is (18F)Xtra?

(18F)Xtra is a chemical substance with the molecular formula C17H18FN3 and a molar mass of 282.35 g/mol. Its CAS registry number is 1044503-85-6. The IUPAC name is (1R,2R,4S)-2-[5-(2-(18F)fluoro-3-pyridinyl)-3-pyridinyl]-7-methyl-7-azabicyclo[2.2.1]heptane.

What is the CAS number of (18F)Xtra?

The CAS registry number of (18F)Xtra is 1044503-85-6.

What is the molecular formula and weight of (18F)Xtra?

The molecular formula of (18F)Xtra is C17H18FN3 and its molar mass is 282.35 g/mol.

What is (18F)Xtra used for?

Known uses and roles of (18F)Xtra include isotope-labelled compounds in research and laboratory.

Is (18F)Xtra hazardous?

No GHS hazard classification for (18F)Xtra 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 (18F)Xtra?

(18F)Xtra is usually classified under HS code 284443 (Radioactive elements and isotopes and compounds other than those of subheading 284410…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy (18F)Xtra?

Post a free request on CompoundList and suppliers of (18F)Xtra will send you quotes. Your contact details stay private until you accept a quote.

What is the price of (18F)Xtra?

Suppliers quote (18F)Xtra 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

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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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