Skip Navigation
ChemIDplus A TOXNET DATABASE LiteBrowseAdvanced

Substance Name: DTPA-1-hydroxy-3-aminopropane-1,1-diphosphonate
RN: 133019-01-9
InChIKey: WVZSYPBNCUZLCL-UHFFFAOYSA-K

Note

  • Evaluated as a rat myocardial infarct model.

Molecular Formula

  • C17-H24-Gd-N4-O16-P2.5H

Molecular Weight

  • 767.6498
 
* 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

  • DTPA-1-hydroxy-3-aminopropane-1,1-diphosphonate

Synonyms

  • 1-Hydroxy-3-aminopropane 1,1-diphosphonate-Gd-DTPA
  • Gd-DTPA-HPDP

Systematic Name

  • Gadoliante(5-), (8,11,14-tris(carboxymethyl)-1,1,2-trihydroxy-6-oxo-2-phosphono-5,8,11,14-tetraaza-1-phosphahexadecan-16-oic acid 1-oxidato(8-)-N8,N11,N14,O6,O8,O11,O14,O16)-, pentahydrogen

Registry Numbers

CAS Registry Number

  • 133019-01-9

System Generated Number

  • 0133019019

Molecular Formulas

Molecular Formula

  • C17-H24-Gd-N4-O16-P2.5H

Molecular Formula Fragments

  • C17-H24-Gd-N4-O16-P2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C17H32N4O16P2.Gd/c22-12(18-2-1-17(31,38(32,33)34)39(35,36)37)7-20(9-14(25)26)5-3-19(8-13(23)24)4-6-21(10-15(27)28)11-16(29)30;/h31H,1-11H2,(H,18,22)(H,23,24)(H,25,26)(H,27,28)(H,29,30)(H2,32,33,34)(H2,35,36,37);/q;+3/p-3

InChIKey

WVZSYPBNCUZLCL-UHFFFAOYSA-K

Smiles

[H+].[H+].[H+].[H+].[H+].C1CN23CC(=O[Gd+3]24567(N1(CCN4(CC(=O)[O-]5)CC(=O)[O-]6)CC(=O)[O-]7)[O-]C(=O)C3)NCCC(O)(P(=O)([O-])[O-])P(=O)([O-])[O-]