Flotufolastat F-18
(2S)-2-[[(1S)-1-carboxy-4-[[(1R)-1-carboxy-4-[[4-[[(5R)-5-carboxy-5-[[(2R)-2-[[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-3-[[4-[ditert-butyl(fluoro)silyl]benzoyl]amino]propanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]butyl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid
Molecular Identity
Flotufolastat F-18
(2S)-2-[[(1S)-1-carboxy-4-[[(1R)-1-carboxy-4-[[4-[[(5R)-5-carboxy-5-[[(2R)-2-[[(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetrazacyclododec-1-yl]butanoyl]amino]-3-[[4-[ditert-butyl(fluoro)silyl]benzoyl]amino]propanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]butyl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid
PubChem CID: 154572844
Flotufolastat F-18 is a secondary carboxamide, a member of benzamides, a crown amine, an organosiloxane and a (18)F radiopharmaceutical. It has a role as a radioactive imaging agent. It is a conjugate acid of a flotufolastat F-18(9-).
2D Structure
Properties
C63H99FN12O25Si
Molecular Formula
1470.60
Molecular Weight
g/mol
1469.6623
Exact Mass
Da
564
TPSA
May have limited oral absorption
17
H-Bond Donors
30
H-Bond Acceptors
2860
Complexity
SMILES
Canonical SMILES
SMILES: CC(C)(C)[Si](C1=CC=C(C=C1)C(=O)NCC(C(=O)NC(CCCCNC(=O)CCC(=O)NCCCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)NC(CCC(=O)O)C(=O)O)C(=O)O)NC(=O)CCC(C(=O)O)N2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)(C(C)(C)C)FIsomeric SMILES
SMILES: CC(C)(C)[Si](C1=CC=C(C=C1)C(=O)NC[C@H](C(=O)N[C@H](CCCCNC(=O)CCC(=O)NCCC[C@H](C(=O)O)NC(=O)CC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C(=O)O)NC(=O)CC[C@@H](C(=O)O)N2CCN(CCN(CCN(CC2)CC(=O)O)CC(=O)O)CC(=O)O)(C(C)(C)C)[18F]Synonyms(20)
Flotufolastat F-18Flotufolastat (18F)rhPSMA-7.3C811W19E3OLUNII-811W19E3OL2639294-14-52305060-41-5RefChem:56833N2-(N-((4S)-4-CARBOXY-4-(4,7,10-TRIS(CARBOXYMETHYL)-1,4,7,10-TETRAAZA-CYCLODODECAN-1-YL)BUTANOYL)-3-(4-(DI-TERT-BUTYL(18F)FLUOROSILYL)BENZAMIDO)-D-ALANYL)-N6-(4-(N2-(N-((L-GLUTAMIC ACID-N-YL)CARBONYL)-L-gamma-GLUTAMYL)-D-ORNITHIN-N5-YL)-4-OXOBUTANOYL)-D-LYSINEflotufolastat F 18flotufolastat (18)Fflotufolastatum (18F)flotufolastat ((18)F)Flotufolastat F18 [MI](18)F-rhPSMA-7.3
Data from PubChem (NCBI)
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Trials and conditions connected to Flotufolastat F-18
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