Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: Rodilemid
RN: 100333-50-4
InChIKey: IGBSZWIFNGNJMK-GVGSFCBVSA-H

Molecular Formula

  • C10-H12-Ca-N2-O8.C6-H12-O7.C3-H7-N-O2-S.1/2Ca.2Na

Molecular Weight

  • 925.798
 
* denotes mobile formatted website

Links to Resources

NLM Resources (File Locators)

Other Resources (Internet Locators)


Search for this InChIKey on the Web

Names and Synonyms

Name of Substance

  • Rodilemid

Systematic Name

  • Calciate(2-), ((N,N'-1,2-ethanediylbis(N-(carboxymethyl)glycinato))(4-)-N,N',O,O',ON,ON')-, (2S-trans)-

Registry Numbers

CAS Registry Number

  • 100333-50-4

System Generated Number

  • 0100333504

Molecular Formulas

Molecular Formula

  • C10-H12-Ca-N2-O8.C6-H12-O7.C3-H7-N-O2-S.1/2Ca.2Na

Molecular Formula Fragments

  • C10-H12-Ca-N2-O8
  • C3-H7-N-O2-S
  • C6-H12-O7
  • Ca
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C10H16N2O8.2C6H12O7.C3H7NO2S.2Ca.2Na/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;2*7-1-2(8)3(9)4(10)5(11)6(12)13;4-2(1-7)3(5)6;;;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);2*2-5,7-11H,1H2,(H,12,13);2,7H,1,4H2,(H,5,6);;;;/q;;;;2*+2;2*+1/p-6/t;2*2-,3-,4+,5-;2-;;;;/m.110..../s1

InChIKey

IGBSZWIFNGNJMK-GVGSFCBVSA-H

Smiles

[Ca+2].C([C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO)(=O)[O-].C(=O)([O-])[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.C([C@@H](N)CS)(=O)O.C(N(CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O)C([O-])=O.[Ca+2].[Na+].[Na+]