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Substance Name: Nitr 5
RN: 109232-36-2
InChIKey: SQBFKIHOMAMLEJ-UHFFFAOYSA-N

Note

  • Photosensitive Ca++ chelator.

Classification Codes

  • Chelating Agents
  • Sequestering Agents

Molecular Formula

  • C31-H31-N3-O15

Molecular Weight

  • 685.592
 
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Names and Synonyms

Name of Substance

  • Nitr 5

Synonym

  • Nitr-5

Systematic Name

  • Glycine, N-(2-(2-(2-(bis(carboxymethyl)amino)-5-(hydroxy(6-nitro-1,3-benzodioxol-5-yl)methyl)phenoxy)ethoxy)-4-methylphenyl)-N-(carboxymethyl)-

Registry Numbers

CAS Registry Number

  • 109232-36-2

System Generated Number

  • 0109232362

Structure Descriptors

InChI

1S/C31H31N3O15/c1-17-2-4-20(32(12-27(35)36)13-28(37)38)23(8-17)46-6-7-47-24-9-18(3-5-21(24)33(14-29(39)40)15-30(41)42)31(43)19-10-25-26(49-16-48-25)11-22(19)34(44)45/h2-5,8-11,31,43H,6-7,12-16H2,1H3,(H,35,36)(H,37,38)(H,39,40)(H,41,42)

InChIKey

SQBFKIHOMAMLEJ-UHFFFAOYSA-N

Smiles

c1(c([N+]([O-])=O)cc2OCOc2c1)[C@@H](c1cc(OCCOc2c(N(CC(=O)O)CC(=O)O)ccc(c2)C)c(N(CC(=O)O)CC(=O)O)cc1)O