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Substance Name: Phenolphthalexon
RN: 25296-54-2
InChIKey: QHKMTHBQSIKVAC-UHFFFAOYSA-N

Note

  • Hepatobiliary radiopharmaceutical when labeled with 113m indium.

Molecular Formula

  • C30-H28-N2-O12

Molecular Weight

  • 608.553
 
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Names and Synonyms

Name of Substance

  • Phenolphthalexon

Synonym

  • EINECS 246-796-5

Systematic Name

  • N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine)

Registry Numbers

CAS Registry Number

  • 25296-54-2

Related Registry Number

  • 62698-58-2 (tetra-hydrochloride salt)

System Generated Number

  • 0025296542

Structure Descriptors

InChI

1S/C30H28N2O12/c33-23-7-5-19(9-17(23)11-31(13-25(35)36)14-26(37)38)30(22-4-2-1-3-21(22)29(43)44-30)20-6-8-24(34)18(10-20)12-32(15-27(39)40)16-28(41)42/h1-10,33-34H,11-16H2,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

QHKMTHBQSIKVAC-UHFFFAOYSA-N

Smiles

C1(OC(=O)c2c1cccc2)(c1cc(CN(CC(O)=O)CC(O)=O)c(cc1)O)c1cc(CN(CC(O)=O)CC(O)=O)c(cc1)O