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
No image available.
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.NaCite 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 ) (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
