FLOTEGATIDE F-18

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C41H60FN13O13
Molecular Weight	960.9953
Optical Activity	UNSPECIFIED
Defined Stereocenters	9 / 9
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCCNC(=O)[C@H]2O[C@@H](CNC(=O)CN3C=C(CCC[18F])N=N3)[C@H](O)[C@@H](O)[C@H]2O)NC(=O)[C@@H](CC4=CC=CC=C4)NC(=O)[C@H](CC(O)=O)NC(=O)CNC1=O

InChI

InChIKey=SDQRGILXNZSUMD-ABRGNQFASA-N

InChI=1S/C41H60FN13O13/c42-13-6-10-23-20-55(54-53-23)21-30(57)47-18-28-32(60)33(61)34(62)35(68-28)40(67)45-14-5-4-11-25-37(64)50-24(12-7-15-46-41(43)44)36(63)48-19-29(56)49-27(17-31(58)59)39(66)52-26(38(65)51-25)16-22-8-2-1-3-9-22/h1-3,8-9,20,24-28,32-35,60-62H,4-7,10-19,21H2,(H,45,67)(H,47,57)(H,48,63)(H,49,56)(H,50,64)(H,51,65)(H,52,66)(H,58,59)(H4,43,44,46)/t24-,25-,26+,27-,28-,32-,33+,34+,35-/m0/s1/i42-1

HIDE SMILES / InChI

Molecular Formula	C41H60FN13O13
Molecular Weight	960.9953
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	9 / 9
E/Z Centers	0
Optical Activity	UNSPECIFIED

Description
Sources: https://adisinsight.springer.com/drugs/800044272 | https://www.ncbi.nlm.nih.gov/pubmed/24627345

FLOTEGATIDE F-18, a radiolabelled tripeptide with arginine-glycine-aspartic acid (R-G-D) motif, is a positron emission tomography (PET) tracer targeting integrin alpha-V/beta-3. It was under development as a diagnostic agent for cancer and atherosclerosis.

Originator

Approval Year

PubMed

Title	Date	PubMed

Substance Class	Chemical Created by `admin` on `Sat Dec 16 10:10:20 GMT 2023` Edited by `admin` on `Sat Dec 16 10:10:20 GMT 2023`
Record UNII	Q1MCS0I4BE
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

FLOTEGATIDE F-18

Common Name

English

Flotegatide (18f) [WHO-DD]

Common Name

English

CYCLO(L-ARGINYLGLYCYL-L-.ALPHA.-ASPARTYL-D-PHENYLALANYL-N6-(2,6-ANHYDRO-7-DEOXY-7-((2-(4-(3-(FLUORO-18F)PROPYL)-1H-1,2,3-TRIAZOL-1-YL)ACETYL)AMINO)-L-GLYCERO-L-GALACTO-HEPTONOYL)-L-LYSYL)

Systematic Name

English

flotegatide (¹⁸F) [INN]

Common Name

English

FLOTEGATIDE (18F)

Official Name

English

Code System Code Type Description

INN

9722