MedKoo Cat#: 581179 | Name: Desacetylcephalothin sodium

Description:

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

Deacetylcephalothin Sodium Salt, is an impurity in the synthesis of Cefalonium (C236800) and an analog of Cephalothin (C261150) a first-generation cephalosporin antibiotic used as a long-acting intramammary cerate for infusion of dairy cows.

Chemical Structure

Desacetylcephalothin sodium
Desacetylcephalothin sodium
CAS#5547-29-5 (Na)

Theoretical Analysis

MedKoo Cat#: 581179

Name: Desacetylcephalothin sodium

CAS#: 5547-29-5 (Na)

Chemical Formula: C14H13N2NaO5S2

Exact Mass: 376.0164

Molecular Weight: 376.38

Elemental Analysis: C, 44.68; H, 3.48; N, 7.44; Na, 6.11; O, 21.25; S, 17.04

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Synonym
Desacetylcephalothin sodium; Dacet; Deacetylcephalothin sodium salt;
IUPAC/Chemical Name
5-Thia-1-azabicyclo(4.2.0)oct-2-ene-2-carboxylic acid, 3-(hydroxymethyl)-8-oxo-7-(2-(2-thienyl)acetamido)-, sodium salt
InChi Key
UBZLUULXMJGRPG-UHFFFAOYSA-M
InChi Code
InChI=1S/C14H14N2O5S2.Na/c17-5-7-6-23-13-10(12(19)16(13)11(7)14(20)21)15-9(18)4-8-2-1-3-22-8;/h1-3,10,13,17H,4-6H2,(H,15,18)(H,20,21);/q;+1/p-1
SMILES Code
O=C(C(N12)=C(CO)CSC2C(NC(CC3=CC=CS3)=O)C1=O)[O-].[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
>2 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

Preparing Stock Solutions

The following data is based on the product molecular weight 376.38 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
1: Denton K, Atkinson MM, Borenstein SP, Carlson A, Carroll T, Cullity K, Demarsico C, Ellowitz D, Gialtouridis A, Gore R, Herleikson A, Ling AY, Martin R, McMahan K, Naksukpaiboon P, Seiz A, Yearwood K, O'Neill J, Wiatrowski H. Identification of a possible respiratory arsenate reductase in Denitrovibrio acetiphilus, a member of the phylum Deferribacteres. Arch Microbiol. 2013 Sep;195(9):661-70. doi: 10.1007/s00203-013-0915-5. Epub 2013 Aug 18. PubMed PMID: 23955655.