CHEBI:229675 - flotufolastat F-18 gallium

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name flotufolastat F-18 gallium ChEBI ID CHEBI:229675 Definition An 18F radiopharmaceutical which is used as a radioactive diagnostic agent for positron emission tomography (PET) of prostate-specific membrane antigen positive lesions in men with prostate cancer. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C63H90[18F]N12O25Si.Ga.H.H.H.H.H.H Net Charge 0 Average Mass 1537.329 Monoisotopic Mass 1535.56440 InChI InChI=1S/C63H99FN12O25Si.Ga/c1-62(2,3)102(64,63(4,5)6)39-14-12-38(13-15-39)54(89)67-34-44(69-49(80)20-18-45(60(99)100)76-32-30-74(36-52(85)86)28-26-73(35-51(83)84)27-29-75(31-33-76)37-53(87)88)55(90)70-41(57(93)94)10-7-8-24-65-46(77)21-22-47(78)66-25-9-11-40(56(91)92)68-48(79)19-16-42(58(95)96)71-61(101)72-43(59(97)98)17-23-50(81)82;/h12-15,40-45H,7-11,16-37H2,1-6H3,(H,65,77)(H,66,78)(H,67,89)(H,68,79)(H,69,80)(H,70,90)(H,81,82)(H,83,84)(H,85,86)(H,87,88)(H,91,92)(H,93,94)(H,95,96)(H,97,98)(H,99,100)(H2,71,72,101);/q;+3/p-3/t40-,41-,42+,43+,44-,45+;/m1./s1/i64-1; InChIKey OJPQWJNFDOFXTN-WRFPGERRSA-K SMILES [H+].[H+].[H+].[H+].[H+].[H+].[Ga+3].CC(C)(C)[Si]([18F])(C1=CC=C(C=C1)C(=O)NC[C@@H](NC(=O)CC[C@H](N1CCN(CC([O-])=O)CCN(CC([O-])=O)CCN(CC([O-])=O)CC1)C([O-])=O)C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@@H](NC(=O)CC[C@H](NC(=O)N[C@@H](CCC([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C([O-])=O)C(C)(C)C Roles Classification Application(s): radioactive imaging agent radiopharmaceutical Any pharmaceutical compound containing a radioisotope. (via (18)F radiopharmaceutical ) View more via ChEBI Ontology ChEBI Ontology Outgoing flotufolastat F-18 gallium (CHEBI:229675) has part flotufolastat F-18(9−) (CHEBI:229676) flotufolastat F-18 gallium (CHEBI:229675) has role radioactive imaging agent (CHEBI:37336) flotufolastat F-18 gallium (CHEBI:229675) is a 18F radiopharmaceutical (CHEBI:49127) flotufolastat F-18 gallium (CHEBI:229675) is a gallium molecular entity (CHEBI:37111) IUPAC Name gallium hydrogen (3S,7S,12R,26R)-26-{[N-{(4S)-4-carboxylato-4-[4,7,10-tris(carboxylatomethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoyl}-3-(4-{di-tert-butyl[(18F)fluoro]silyl}benzamido)-D-alanyl]amino}-5,10,17,20-tetraoxo-4,6,11,16,21-pentaazahexacosane-1,3,7,12,26-pentacarboxylate (1:6:1) Synonym Source flotufolastat F18 gallium KEGG DRUG Brand Name Source Posluma KEGG DRUG Manual Xref Database D12606 KEGG DRUG View more database links Registry Number Type Source 2305081-64-3 CAS Registry Number KEGG DRUG Citation Type Source 37439946 PubMed citation Europe PMC Last Modified 23 February 2024