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Flotufolastat F-18

Flotufolastat F-18

API0233141

Flotufolastat F-18

Flotufolastat F-18 Gallium is a prostate-specific membrane antigen (PSMA) targeting agent, diagnostic drug.

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  • CAS No.

    2639294-14-5

  • Synonyms

    Flotufolastat F-18; Flotufolastat (18F); rhPSMA-7.3C

  • CHEMBL ID

    CHEMBL5314558

  • Compound CID

    154572844

  • Molecular Weight (g/mol)

    1470.6

  • Molecular Formula

    C63H99FN12O25Si

  • 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

  • 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]

  • IUPAC Name

    (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(fluoranyl)silyl]benzoyl]amino]propanoyl]amino]pentyl]amino]-4-oxobutanoyl]amino]butyl]amino]-4-oxobutyl]carbamoylamino]pentanedioic acid

  • Exact Mass (Da)

    1469.662296

  • Monoisotopic Mass (Da)

    1469.662296

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