MedKoo Cat#: 592747 | Name: Alvimopan monohydrate

Description:

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

Alvimopan monohydrate is a mu opioid receptor antagonist; intended to treat constipation in patients taking opiates for pain.

Chemical Structure

Alvimopan monohydrate
Alvimopan monohydrate
CAS#1383577-62-5 (monohydrate)

Theoretical Analysis

MedKoo Cat#: 592747

Name: Alvimopan monohydrate

CAS#: 1383577-62-5 (monohydrate)

Chemical Formula: C25H34N2O5

Exact Mass: 442.2468

Molecular Weight: 442.56

Elemental Analysis: C, 67.85; H, 7.74; N, 6.33; O, 18.08

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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Synonym
Alvimopan monohydrate
IUPAC/Chemical Name
((S)-2-benzyl-3-((3R,4R)-4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl)propanoyl)glycine hydrate
InChi Key
XSTFUWQLHMJPFG-NABRLNOVSA-N
InChi Code
InChI=1S/C25H32N2O4.H2O/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19;/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30);1H2/t18-,20-,25+;/m0./s1
SMILES Code
O=C(O)CNC([C@@H](CC1=CC=CC=C1)CN2C[C@H](C)[C@](C)(C3=CC=CC(O)=C3)CC2)=O.[H]O[H]
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 442.56 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: Bayés M, Rabasseda X. Gateways to clinical trials. Methods Find Exp Clin Pharmacol. 2008 Jan-Feb;30(1):67-99. PubMed PMID: 18389098.