API0231954
Tyropanoate Sodium
Tyropanoate Sodium is a contrast agent used for gallbladder imaging.
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CAS No.
7246-21-1
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Synonyms
Tyropanoate sodium; Sodium tyropanoate; Natrii tyropanoas
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CHEMBL ID
CHEMBL1200899
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Compound CID
541384
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Molecular Weight (g/mol)
663
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Molecular Formula
C15H17I3NNaO3
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InChI
InChI=1S/C15H18I3NO3.Na/c1-3-5-12(20)19-14-11(17)7-10(16)9(13(14)18)6-8(4-2)15(21)22;/h7-8H,3-6H2,1-2H3,(H,19,20)(H,21,22);/q;+1/p-1
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InChIKey
KTVKGXZZBQCBGD-UHFFFAOYSA-M
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SMILES
CCCC(=O)NC1=C(C=C(C(=C1I)CC(CC)C(=O)[O-])I)I.[Na+]
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IUPAC Name
sodium;2-[[3-(butanoylamino)-2,4,6-triiodophenyl]methyl]butanoate
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Exact Mass (Da)
662.824
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Monoisotopic Mass (Da)
662.824
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