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Substance Name: Calmagite
RN: 3147-14-6
UNII: 0A3KVV9HZC
InChIKey: VBRNLOQCBCPPHL-VHEBQXMUSA-N

Note

  • Indicator used to measure free magnesium &/or calcium in biological systems.

Molecular Formula

  • C17-H14-N2-O5-S

Molecular Weight

  • 358.373
 
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Names and Synonyms

Name of Substance

  • Calmagite

Synonyms

  • Calmagite
  • EINECS 221-563-0
  • NSC 299391
  • UNII-0A3KVV9HZC

Systematic Names

  • 1-Naphthalenesulfonic acid, 3-hydroxy-4-((2-hydroxy-5-methylphenyl)azo)-
  • 1-Naphthalenesulfonic acid, 3-hydroxy-4-((6-hydroxy-m-tolyl)azo)- (8CI)
  • 1-Naphthalenesulfonic acid, 3-hydroxy-4-(2-(2-hydroxy-5-methylphenyl)diazenyl)-
  • 3-Hydroxy-4-((6-hydroxy-m-tolyl)azo)-1-naphthalenesulfonic acid
  • 3-Hydroxy-4-(6-hydroxy-m-tolylazo)naphthalene-1-sulphonic acid

Registry Numbers

CAS Registry Number

  • 3147-14-6

FDA UNII

  • 0A3KVV9HZC

System Generated Number

  • 0003147146

Structure Descriptors

InChI

1S/C17H14N2O5S/c1-10-6-7-14(20)13(8-10)18-19-17-12-5-3-2-4-11(12)16(9-15(17)21)25(22,23)24/h2-9,20-21H,1H3,(H,22,23,24)/b19-18+

InChIKey

VBRNLOQCBCPPHL-VHEBQXMUSA-N

Smiles

O=S(=O)(O)c1c2c(c(\N=N\c3c(O)ccc(C)c3)c(O)c1)cccc2

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.120 (none)   EST
Atmospheric OH Rate Constant 2.05E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.