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Substance Name: Dtpa-4-aminobutane-1,1-diphosphonate
RN: 133049-44-2
InChIKey: MWGJDMWQJHMVHM-UHFFFAOYSA-K

Note

  • Evaluated as a rat myocardial infarct model.

Molecular Formula

  • C18-H26-Gd-N4-O15-P2.5H

Molecular Weight

  • 762.6539
 
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Names and Synonyms

Name of Substance

  • Dtpa-4-aminobutane-1,1-diphosphonate

Synonyms

  • 4-Aminobutane-1,1-diphosphonate-Gd-dtpa
  • Gddtpa-bdp

Systematic Name

  • Gadoliante(5-), (9,12,15-tris(carboxymethyl)-1,1-dihydroxy-7-oxo-2-phosphono-6,9,12,15-tetraaza-1-phosphaheptadecan-17-oic acid 1 -oxidato-N9,N12,N15,O7,O9,O12,O15,O17)-, pentahydrogen

Registry Numbers

CAS Registry Number

  • 133049-44-2

System Generated Number

  • 0133049442

Molecular Formulas

Molecular Formula

  • C18-H26-Gd-N4-O15-P2.5H

Molecular Formula Fragments

  • C18-H26-Gd-N4-O15-P2
  • COMPONENT
  • H

Structure Descriptors

InChI

1S/C18H34N4O15P2.Gd/c23-13(19-3-1-2-18(38(32,33)34)39(35,36)37)8-21(10-15(26)27)6-4-20(9-14(24)25)5-7-22(11-16(28)29)12-17(30)31;/h18H,1-12H2,(H,19,23)(H,24,25)(H,26,27)(H,28,29)(H,30,31)(H2,32,33,34)(H2,35,36,37);/q;+3/p-3

InChIKey

MWGJDMWQJHMVHM-UHFFFAOYSA-K

Smiles

[H+].[H+].[H+].[H+].[H+].C(CC(P(=O)([O-])[O-])P(=O)([O-])[O-])CNC(=O)CN(CCN(CCN(CC(=O)[O-])CC(=O)[O-])CC(=O)[O-])CC(=O)[O-].[Gd+3]