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MedKoo Cat#: 461196 | Name: Cistinexine

Description:

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

Cistinexine is an expectorant and mucolytic derived from cystine.

Chemical Structure

Cistinexine
Cistinexine
CAS#86042-51-5

Theoretical Analysis

MedKoo Cat#: 461196

Name: Cistinexine

CAS#: 86042-51-5

Chemical Formula: C50H62Br4Cl2N6O6S2

Exact Mass:

Molecular Weight: 1297.71

Elemental Analysis: C, 46.28; H, 4.82; Br, 24.63; Cl, 5.46; N, 6.48; O, 7.40; S, 4.94

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 #
No Data
Synonym
Cistinexine;
IUPAC/Chemical Name
dibenzyl ((2R,2'R)-disulfanediylbis(3-((2,4-dibromo-6-((cyclohexyl(methyl)amino)methyl)phenyl)amino)-3-oxopropane-1,2-diyl))dicarbamate dihydrochloride
InChi Key
PPEZAAJBUXWMPJ-OWRGXFNZSA-N
InChi Code
InChI=1S/C50H60Br4N6O6S2.2ClH/c1-59(39-19-11-5-12-20-39)27-35-23-37(51)25-41(53)45(35)57-47(61)43(55-49(63)65-29-33-15-7-3-8-16-33)31-67-68-32-44(56-50(64)66-30-34-17-9-4-10-18-34)48(62)58-46-36(24-38(52)26-42(46)54)28-60(2)40-21-13-6-14-22-40;;/h3-4,7-10,15-18,23-26,39-40,43-44H,5-6,11-14,19-22,27-32H2,1-2H3,(H,55,63)(H,56,64)(H,57,61)(H,58,62);2*1H/t43-,44-;;/m0../s1
SMILES Code
O=C(OCc1ccccc1)N[C@H](C(Nc2c(CN(C3CCCCC3)C)cc(Br)cc2Br)=O)CSSC[C@@H](C(Nc4c(CN(C5CCCCC5)C)cc(Br)cc4Br)=O)NC(OCc6ccccc6)=O.Cl.Cl
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
2934.99.03.00
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 1,297.71 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: Santolicandro A, Baldi S, Giuntini C. The effect of a new expectorant drug on mucus transport in chronic bronchitis. J Aerosol Med. 1995 Spring;8(1):33-42. PubMed PMID: 10150489. 2: Guenzi A, Cappelletti R, Esposito R, Polidori M, Leonardi A. Analytical profile of Rec 15-1884-2, a new compound with expectorant activity. Boll Chim Farm. 1985 Nov;124(11):451-68. PubMed PMID: 3833262.