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Substance Name: Indigotine P free acid
RN: 25180-62-5
UNII: 8I454XLY0J
InChIKey: PFGCFTSBVNIOSI-BUHFOSPRSA-N

Molecular Formula

  • C16-H10-N2-O14-S4

Molecular Weight

  • 582.519
 
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Names and Synonyms

Name of Substance

  • Indigotine P free acid

Synonyms

  • (delta2,2'-Biindoline)-5,5',7,7'-tetrasulfonic acid, 3,3'-dioxo-
  • 1H-Indole-5,7-disulfonic acid, 2-(1,3-dihydro-3-oxo-5,7-disulfo-2H-indol-2-ylidene)-2,3-dihydro-3-oxo-
  • Indigo-5,5',7,7'-tetrasulfonic acid
  • Indigotine P free acid
  • UNII-8I454XLY0J

Registry Numbers

CAS Registry Number

  • 25180-62-5

FDA UNII

  • 8I454XLY0J

System Generated Number

  • 0025180625

Structure Descriptors

InChI

1S/C16H10N2O14S4/c19-15-7-1-5(33(21,22)23)3-9(35(27,28)29)11(7)17-13(15)14-16(20)8-2-6(34(24,25)26)4-10(12(8)18-14)36(30,31)32/h1-4,17-18H,(H,21,22,23)(H,24,25,26)(H,27,28,29)(H,30,31,32)/b14-13+

InChIKey

PFGCFTSBVNIOSI-BUHFOSPRSA-N

Smiles

OS(=O)(=O)c1cc2C(=O)\C(=C\3/Nc4c(cc(cc4S(=O)(=O)O)S(=O)(=O)O)C3=O)\Nc2c(c1)S(=O)(=O)O