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Substance Name: 2-Cresolphthalexon
RN: 2411-89-4
UNII: A4P6737I7F
InChIKey: IYZPEGVSBUNMBE-UHFFFAOYSA-N

Molecular Formula

  • C32-H32-N2-O12

Molecular Weight

  • 636.607
 
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Names and Synonyms

Name of Substance

  • 2-Cresolphthalexon

Synonyms

  • 3,3'-Bis(N,N-di(carboxymethyl)aminomethyl)-o-cresolphthalein
  • Cresolphthalein complexon
  • Cresolphthalein complexone
  • Cresolphthalexon
  • EINECS 219-318-8
  • NSC 298195
  • o-Cresolphthalein complexon
  • o-Cresolphthalein complexone
  • UNII-A4P6737I7F

Systematic Names

  • 1,3-Dihydro-3-oxoisobenzofuran-1-ylidenebis(6-hydroxy-5-methyl-m-phenylenemethylenenitrilo)tetra-acetic acid
  • Glycine, N,N'-((3-oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)-
  • N,N'-((3-Oxo-1(3H)-isobenzofuranylidene)bis((6-hydroxy-5-methyl-3,1-phenylene)methylene))bis(N-(carboxymethyl)glycine

Registry Numbers

CAS Registry Number

  • 2411-89-4

FDA UNII

  • A4P6737I7F

Related Registry Number

  • 62698-54-8 (tetra-hydrochloride salt)

System Generated Number

  • 0002411894

Structure Descriptors

InChI

1S/C32H32N2O12/c1-17-7-21(9-19(29(17)43)11-33(13-25(35)36)14-26(37)38)32(24-6-4-3-5-23(24)31(45)46-32)22-8-18(2)30(44)20(10-22)12-34(15-27(39)40)16-28(41)42/h3-10,43-44H,11-16H2,1-2H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

IYZPEGVSBUNMBE-UHFFFAOYSA-N

Smiles

O=C1OC(c2ccccc12)(c1cc(c(O)c(CN(CC(=O)O)CC(=O)O)c1)C)c1cc(c(O)c(CN(CC(=O)O)CC(=O)O)c1)C