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Vidoflufolastat(18F)

Properties, data and information sources.

 

Contents

Vidoflufolastate-(18F) is an organic chemical compound labeled with the radioactive isotope fluorine-18. The substance is therefore a positron source that can be used, for example, in diagnostic imaging.

 

Names and Identifiers

Name
Vidoflufolastat(18F)
Formula
C28H4018FN4O14P
Molar mass
705.617 (g/mol)
CAS registry number
1628717-59-8
InChI Key
IZLOSIXADNUSCM-ZWYZQBDTSA-N

Systematic name
(2S)-2-[[[(4S)-4-Carboxy-4-[[(4S)-4-carboxy-4-[6-[(4-(18F)fluorobenzoyl)amino]hexanoylamino]butanoyl]amino]butoxy]-hydroxyphosphoryl]amino]pentanedioic acid

Other names, synonyms
Fluorine (18F) CTT 1057; [18F]Vidoflufolastat

Trade names; preparations
CTT-1057 F-18

 

Chemical formulas

Molecular formula and structural formula of Vidoflufolastat(18F):

 

C28H4018FN4O14P

Mr = 705.6167 g/mol

(2S)-2-[[[(4S)-4-Carboxy-4-[[(4S)-4-carboxy-4-[6-[(4-(18F)fluorobenzoyl)amino]hexanoylamino]butanoyl]amino]butoxy]-hydroxyphosphoryl]amino]pentanedioic acid
SMILES: C1=CC(=CC=C1C(=O)NCCCCCC(=O)N[C@@H](CCC(=O)N[C@@H](CCCOP(=O)(N[C@@H](CCC(=O)O)C(=O)O)O)C(=O)O)C(=O)O)[18F]

 

Spectroscopic data:

Calculated NMR spectrum (Predict Spectra via NMRDB)
1H NMR Spektrum, 13C NMR Spektrum.

 

Percentage and isotopic composition:

Mass-related elemental composition and isotope proportions of the compound Vidoflufolastat(18F) - C28H4018FN4O14P - calculated based on molecular mass.

Symbol
Element E
Number x
of atoms Ex
Data of the element
and isotopes *
Percentages
of isotopes
Percentage of
Ex in formula mass
C
Carbon
28 Ar = 12.011 u
ΣAr = 336.308 u
12C: 12 u [98,94 %]
13C: 13.00335 u [1,06 %]
14C: 14.00324 u [<< 1 %]
 
12C: 47.15636 %
13C: 0.50521 %
14C: trace
47.6616 %H
Hydrogen
40 Ar = 1.008 u
ΣAr = 40.32 u
1H: 1.00783 u [99,99 %]
2H: 2.0141 u [0,01 %]
3H: 3.01605 u [<< 1 %]
 
1H: 5.71358 %
2H: 0.00057 %
3H: trace
5.7142 %F
Fluorine
1ΣAr = 18.0009373 u
18F: 18.00094 u [100 %]
 
18F: 2.55109 %
2.5511 %N
Nitrogen
4 Ar = 14.007 u
ΣAr = 56.028 u
14N: 14.00307 u [99,6205 %]
15N: 15.00011 u [0,3795 %]
 
14N: 7.91015 %
15N: 0.03013 %
7.9403 %O
Oxygen
14 Ar = 15.999 u
ΣAr = 223.986 u
16O: 15.99491 u [99,757 %]
17O: 16.99913 u [0,03835 %]
18O: 17.99916 u [0,205 %]
 
16O: 31.66616 %
17O: 0.01217 %
18O: 0.06507 %
31.7433 %P
Phosphorus
1ΣAr = 30.973761998 u
31P: 30.97376 u [100 %]
 
31P: 4.3896 %
4.3896 %

*) The third column lists the atomic masses or isotope masses of the elements involved and - in square brackets - the natural isotope composition.

 

More calculated data

The molar mass is M = 705.616699298 grams per mole.

The amount of substance in one kilogram of the substance is n = 1.417 mol.

The amount of substance in one gram of the substance is n = 0.001 mol.

Monoisotopic mass: 705.2288012687 Da - related to 12C281H4018F14N416O1431P.

 

Vidoflufolastat(18F) as Active Ingredient

International Non-Proprietary Name (INN): Vidoflufolastat (18F).

ATC Code:
V09IX19

Radiodiagnostic agent for tumor detection: Tracer for PSMA-expressing tumors in positron emission tomography (PET).

For detailed information on the active ingredient, see: , NCI Thesaurus C132028.

 

External Sources

PubChem:ID 86297270ChemSpider:ID 52084973Kegg database DBGET:ID D13230UNII of the FDA (USA):Unique Ingredient Identifier GA4V050P3M

 

Manufacturers and Sources of Supply

The table below lists producers and suppliers of Vidoflufolastat(18F) as a commercial chemical for laboratories, research, industry and production with the corresponding contact details.

 


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