MedKoo Cat#: 412111 | Name: Pentetate Calcium Trisodium (salt)

Description:

WARNING: This product is for research use only, not for human or veterinary use.

Pentetate Calcium Trisodium is the trisodium salt form of calcium diethylene triamine pentaacetate that acts as an iron chelating agent.

Chemical Structure

Pentetate Calcium Trisodium (salt)
Pentetate Calcium Trisodium (salt)
CAS#12111-24-9 (salt)

Theoretical Analysis

MedKoo Cat#: 412111

Name: Pentetate Calcium Trisodium (salt)

CAS#: 12111-24-9 (salt)

Chemical Formula: C14H18CaN3Na3O10

Exact Mass:

Molecular Weight: 497.35

Elemental Analysis: C, 33.81; H, 3.65; Ca, 8.06; N, 8.45; Na, 13.87; O, 32.17

Price and Availability

This product is currently not in stock but may be available through custom synthesis. To ensure cost efficiency, the minimum order quantity is 1 gram. The estimated lead time is 2 to 4 months, with pricing dependent on the complexity of the synthesis (typically high for intricate chemistries). Quotes for quantities below 1 gram will not be provided. To request a quote, please click the button below. Note: If this product becomes available in stock in the future, pricing will be listed accordingly.
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Related CAS #
12111-24-9 (salt) 2531-75-1 (free base)
Synonym
Pentetate Calcium Trisodium; Ba2797; Ba-2797; Ba 2797
IUPAC/Chemical Name
Acetic acid, ((carboxymethylimino)bis(ethylenenitrilo))tetra-, calcium trisodium salt
InChi Key
AYFCVLSUPGCQKD-UHFFFAOYSA-I
InChi Code
InChI=1S/C14H23N3O10.Ca.3Na/c18-10(19)5-15(1-3-16(6-11(20)21)7-12(22)23)2-4-17(8-13(24)25)9-14(26)27;;;;/h1-9H2,(H,18,19)(H,20,21)(H,22,23)(H,24,25)(H,26,27);;;;/q;+2;3*+1/p-5
SMILES Code
O=C(CN(CCN(CC([O-])=O)CC([O-])=O)CCN(CC([O-])=O)CC([O-])=O)[O-].[Ca+2].[Na+].[Na+].[Na+]
Appearance
Solid powder
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
Pentetate Calcium Trisodium is the trisodium salt form of calcium diethylene triamine pentaacetate (Ca-DTPA or pentetate calcium) with chelating activity. Upon administration, Ca-DTPA loses the Ca ion to form stable chelates with metal ions because DTPA has a higher affinity for heavy metal ions than for Ca ions. Specifically, this agent is able to bind to and form strong complexes with radioactive plutonium, americium, and cerium after internal contamination with any of these radionuclides thereby increasing their excretion. DTPA has also been used as a chelator for other metals, such as plutonium.

Preparing Stock Solutions

The following data is based on the product molecular weight 497.35 Batch specific molecular weights may vary from batch to batch due to the degree of hydration, which will affect the solvent volumes required to prepare stock solutions.

Recalculate based on batch purity %
Concentration / Solvent Volume / Mass 1 mg 5 mg 10 mg
1 mM 1.15 mL 5.76 mL 11.51 mL
5 mM 0.23 mL 1.15 mL 2.3 mL
10 mM 0.12 mL 0.58 mL 1.15 mL
50 mM 0.02 mL 0.12 mL 0.23 mL
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