Name: Caldiamide Sodium
Brand: TRC
SKU: TRC-C145690

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Product Overview

Product Code

TRC-C145690

CAS Number

131410-50-9

Product Format

Neat

Molecular Formula

C16H26CaN5NaO8

Molecular Weight

479.48

API Family

Gadodiamide

Product Categories

TRC

Alternate CAS Number

Free acid 743394-14-1

Documentation

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Product Information

Analyte Name

Caldiamide Sodium

CAS Number

131410-50-9

Molecular Formula

C16H26CaN5NaO8

Molecular Weight

479.48

Accurate Mass

479.13

SMILES

O=C(C1)[O-][Ca]234([N]1(CC(NC)=O)CC[N](C5)2CC[N](CC(NC)=O)3CC([O-]4)=O)[O-]C5=O.[Na+]

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;;+1/p-3

IUPAC

Calciate(1-), [5,8-bis[(carboxy-?O)methyl]-11-[2-(methylamino)-2-oxoethyl]-3-oxo-2,5,8,11-tetraazatridecan-13-oato(3-)-?N5,?N8,?N11,?O13]-, sodium (1:1) (ACI)

Alternate CAS Number

Free acid 743394-14-1

Storage Temperature

+4°C

Shipping Temperature

Room Temperature

Country of Origin

CANADA

Product Format

Neat

API Family

Gadodiamide

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