flotufolastat F-18 (CHEBI:229648)

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CHEBI:229648 - flotufolastat F-18

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ChEBI ID	CHEBI:229648
ChEBI Name	flotufolastat F-18
Stars
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.
Last Modified	23 February 2024
Submitter	Adnan
Downloads	Molfile

Formula	C63H99N12O25Si
Net Charge	0
Average Mass	1470.631
Monoisotopic Mass	1469.66230
SMILES	CC(C)(C)[Si]([18F])(c1ccc(C(=O)NC[C@@H](NC(=O)CC[C@@H](C(=O)O)N2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)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)cc1)C(C)(C)C
InChI	InChI=1S/C63H99FN12O25Si/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)/t40-,41-,42+,43+,44-,45+/m1/s1/i64-1
InChIKey	QMGJNAVROCDAIW-MQNQVPOESA-N

Wikipedia

Roles Classification

radioactive imaging agent

radiopharmaceutical Any pharmaceutical compound containing a radioisotope.

ChEBI Ontology

Outgoing Relation(s)
	flotufolastat F-18 (CHEBI:229648) has role radioactive imaging agent (CHEBI:37336)
	flotufolastat F-18 (CHEBI:229648) is a ¹⁸F radiopharmaceutical (CHEBI:49127)
	flotufolastat F-18 (CHEBI:229648) is a benzamides (CHEBI:22702)
	flotufolastat F-18 (CHEBI:229648) is a crown amine (CHEBI:37411)
	flotufolastat F-18 (CHEBI:229648) is a organosiloxane (CHEBI:48150)
	flotufolastat F-18 (CHEBI:229648) is a secondary carboxamide (CHEBI:140325)
	flotufolastat F-18 (CHEBI:229648) is conjugate acid of flotufolastat F-18(9−) (CHEBI:229676)
Incoming Relation(s)
Incoming Relation(s)	flotufolastat F-18(9−) (CHEBI:229676) is conjugate base of flotufolastat F-18 (CHEBI:229648)

IUPAC Name
N-{(4S)-4-carboxy-4-[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododecan-1-yl]butanoyl}-3-(4-{di-tert-butyl[(¹⁸F)fluoro]silyl}benzamido)-D-alanyl-N⁶-[4-({(4R)-4-carboxy-4-[(N-{[(1S)-1,3-dicarboxypropyl]carbamoyl}-L-γ-glutamyl)amino]butyl}amino)-4-oxobutanoyl]-D-lysine

INNs	Source
flotufolastat (18F)	WHO MedNet
flotufolastat (18F)	WHO MedNet
flotufolastat (18F)	WHO MedNet
flotufolastatum (18F)	WHO MedNet

Synonyms	Source
flotufolastat F 18	DrugBank
flotufolastat (¹⁸F)	DrugBank
flotufolastat ¹⁸F	ChEBI
¹⁸F-rhPSMA-7.3	DrugBank

Manual Xrefs	Databases
Flotufolastat_F-18	Wikipedia
DB17851	DrugBank

Registry Numbers	Sources
CAS:2639294-14-5	DrugBank

Citations