Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)

CAS Registry Number®

131410-50-9

CAS Name

Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)

Molecular Formula

C16H26CaN5O8.Na

Cite this Page

Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1).   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=131410-50-9 (retrieved 2024-11-25) (CAS RN: 131410-50-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H29N5O8.Ca.Na/c1-17-12(22)7-20(10-15(26)27)5-3-19(9-14(24)25)4-6-21(11-16(28)29)8-13(23)18-2;;/h3-11H2,1-2H3,(H,17,22)(H,18,23)(H,24,25)(H,26,27)(H,28,29);;/q;+2;+1/p-3

InChIKey

InChIKey=YOVKQJBQALQTMU-UHFFFAOYSA-K

SMILES

C(C(NC)=O)[N]12[Ca+2]345([N](CC[N]3(CC(NC)=O)CC(=O)[O-]4)(CC1)CC(=O)[O-]5)[O-]C(=O)C2.[Na+]

Canonical SMILES

[Na+].O=C1[O-][Ca+2]2345[O-]C(=O)C[N]5(CC(=O)NC)CC[N]4(CC(=O)[O-]2)CC[N]3(C1)CC(=O)NC

Other Names for this Substance

  • Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium (1:1)
  • Calciate(1-), [5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)]-, sodium
  • Calciate(1-), [5,8-bis[(carboxy-κO)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-κN5,κN8,κN11,κO13]-, sodium
  • 2,5,8,11-Tetraazatridecan-13-oic acid, 5,8-bis(carboxymethyl)-11-[2-(methylamino)-2-oxoethyl]-3-oxo-, calcium complex
  • Caldiamide sodium

Deleted or Replaced CAS Registry Numbers

131410-49-6

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