Pentachlorophenylmercapturic acid | CAS#68593-98-6 | bioactive chemical

MedKoo Cat#: 597014 | Name: Pentachlorophenylmercapturic acid

Description:

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

Pentachlorophenylmercapturic acid is a bioactive chemical.

Chemical Structure

Pentachlorophenylmercapturic acid

CAS#68593-98-6

Theoretical Analysis

MedKoo Cat#: 597014

Name: Pentachlorophenylmercapturic acid

CAS#: 68593-98-6

Chemical Formula: C11H8Cl5NO3S

Exact Mass: 408.8668

Molecular Weight: 411.49

Elemental Analysis: C, 32.11; H, 1.96; Cl, 43.07; N, 3.40; O, 11.66; S, 7.79

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.

Bulk Inquiry

Related CAS #

No Data

Synonym

Pentachlorophenylmercapturic acid;

IUPAC/Chemical Name

N-acetyl-S-(perchlorophenyl)-L-cysteine

InChi Key

CXDOSRKBOPYXSZ-BYPYZUCNSA-N

InChi Code

InChI=1S/C11H8Cl5NO3S/c1-3(18)17-4(11(19)20)2-21-10-8(15)6(13)5(12)7(14)9(10)16/h4H,2H2,1H3,(H,17,18)(H,19,20)/t4-/m0/s1

SMILES Code

O=C(O)[C@H](CSC1=C(Cl)C(Cl)=C(Cl)C(Cl)=C1Cl)NC(C)=O

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 411.49 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.

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: To-Figueras J, Gómez-Catalán J, Barrot C, Rodamilans M, Corbella J. Disappearance and sex-dependent excretion of S-pentachlorophenyl-N-acetyl-L-cysteine in the rat. Pharmacol Toxicol. 1995 Dec;77(6):412-3. PubMed PMID: 8835369. 2: Smith AG, Francis JE. Evidence for the active renal secretion of S-pentachlorophenyl-N-acetyl-L-cysteine by female rats. Biochem Pharmacol. 1983 Dec 15;32(24):3797-801. PubMed PMID: 6661253. 3: Renner G. Formation of pentachlorothioanisole from N-acetyl-S-(pentachlorophenyl) cysteine in blood and liver of rats "in vivo". Life Sci. 1983 Oct 3;33(14):1427-31. PubMed PMID: 6621248. 4: Renner G. Metabolic studies on pentachloronitrobenzene (PCNB) in rats. Xenobiotica. 1980 Jul-Aug;10(7-8):537-50. PubMed PMID: 7445521.