MedKoo Cat#: 577808 | Name: Eluxadoline dihydrochloride

Description:

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

Eluxadoline dihydrochloride is an orally-active drug approved for the treatment of diarrhea and abdominal pain in individuals with diarrhea-predominant irritable bowel syndrome (IBS-D). Eluxadoline is a μ- and κ-opioid receptor agonist and δ-opioid receptor antagonist that acts locally in the enteric nervous system, possibly decreasing adverse effects on the central nervous system. This product is discontinued (DEA Schedule IV).

Chemical Structure

Eluxadoline dihydrochloride
Eluxadoline dihydrochloride
CAS#864825-13-8

Theoretical Analysis

MedKoo Cat#: 577808

Name: Eluxadoline dihydrochloride

CAS#: 864825-13-8

Chemical Formula: C32H37Cl2N5O5

Exact Mass: 641.2172

Molecular Weight: 642.58

Elemental Analysis: C, 59.81; H, 5.80; Cl, 11.03; N, 10.90; O, 12.45

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
Eluxadoline dihydrochloride; Eluxadoline 2HCl
IUPAC/Chemical Name
5-(((S)-2-amino-3-(4-carbamoyl-2,6-dimethylphenyl)-N-((S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl)propanamido)methyl)-2-methoxybenzoic acid dihydrochloride
InChi Key
YFUUQKJOCLQHMZ-ISJKLOBTSA-N
InChi Code
InChI=1S/C32H35N5O5.2ClH/c1-18-12-23(29(34)38)13-19(2)24(18)15-26(33)31(39)37(17-21-10-11-28(42-4)25(14-21)32(40)41)20(3)30-35-16-27(36-30)22-8-6-5-7-9-22;;/h5-14,16,20,26H,15,17,33H2,1-4H3,(H2,34,38)(H,35,36)(H,40,41);2*1H/t20-,26-;;/m0../s1
SMILES Code
Cl.Cl.COc1ccc(CN([C@@H](C)c2ncc([nH]2)c3ccccc3)C(=O)[C@@H](N)Cc4c(C)cc(cc4C)C(=O)N)cc1C(=O)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
To be determined
Shelf Life
>2 years if stored properly
Drug Formulation
To be determined
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 642.58 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: Adler AI. NICE guidance on eluxadoline for treating irritable bowel syndrome with diarrhoea. Lancet Gastroenterol Hepatol. 2017 Nov;2(11):779-780. doi: 10.1016/S2468-1253(17)30267-4. Epub 2017 Aug 31. PubMed PMID: 31787228.