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MedKoo Cat#: 329616 | Name: Dembrexine HCl

Description:

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

Dembrexine is a bioactive agent.

Chemical Structure

Dembrexine HCl
Dembrexine HCl
CAS#52702-51-9 (HCl)

Theoretical Analysis

MedKoo Cat#: 329616

Name: Dembrexine HCl

CAS#: 52702-51-9 (HCl)

Chemical Formula: C13H18Br2ClNO2

Exact Mass:

Molecular Weight: 415.55

Elemental Analysis: C, 37.58; H, 4.37; Br, 38.46; Cl, 8.53; N, 3.37; O, 7.70

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 #
83200-09-3 (free base) 52702-51-9 (HCl)
Synonym
Dembrexine HCl; Dembroxol.
IUPAC/Chemical Name
trans-4-((3,5-Dibromo-2-hydroxybenzyl)amino)cyclohexanol hydrochloride
InChi Key
BGRWLVRJIPTKQW-PFWPSKEQSA-N
InChi Code
InChI=1S/C13H17Br2NO2.ClH/c14-9-5-8(13(18)12(15)6-9)7-16-10-1-3-11(17)4-2-10;/h5-6,10-11,16-18H,1-4,7H2;1H/t10-,11-;
SMILES Code
O[C@H]1CC[C@H](NCC2=CC(Br)=CC(Br)=C2O)CC1.[H]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
>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 415.55 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: Matthews AG, Hackett IJ, Lawton WA. The mucolytic effect of Sputolosin in horses with respiratory disease. Vet Rec. 1988 Jan 30;122(5):106-8. PubMed PMID: 3363832. 2: Bauer E, McDougall J, Cameron BD. The trans-cis isomerization of trans-4'-(2-hydroxy-3,5-dibromo-benzylamino)cyclohexanol in vivo and in vitro in different species. Xenobiotica. 1986 Jul;16(7):625-33. PubMed PMID: 3751117.