Lanepitant HCl trihydrate | CAS#167678-33-3 | neurokinin-1 receptor antagonist

MedKoo Cat#: 598285 | Name: Lanepitant HCl trihydrate

Description:

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

Lanepitant HCl trihydrate is a potent non-peptide neurokinin-1 receptor antagonist, inhibits neurogenic dural inflammation, and may have a role in migraine therapy.

Chemical Structure

Lanepitant HCl trihydrate

CAS#167678-33-3

Theoretical Analysis

MedKoo Cat#: 598285

Name: Lanepitant HCl trihydrate

CAS#: 167678-33-3

Chemical Formula: C33H53Cl2N5O6

Exact Mass:

Molecular Weight: 686.71

Elemental Analysis: C, 57.72; H, 7.78; Cl, 10.32; N, 10.20; O, 13.98

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

Lanepitant dihydrochloride trihydrate;

IUPAC/Chemical Name

(R)-N-(1-(1H-indol-3-yl)-3-(N-(2-methoxybenzyl)acetamido)propan-2-yl)-2-([1,4'-bipiperidin]-1'-yl)acetamide dihydrochloride trihydrate

InChi Key

MMXNJDDJYCKAES-BQPUMDETSA-N

InChi Code

InChI=1S/C33H45N5O3.2ClH.3H2O/c1-25(39)38(22-26-10-4-7-13-32(26)41-2)23-28(20-27-21-34-31-12-6-5-11-30(27)31)35-33(40)24-36-18-14-29(15-19-36)37-16-8-3-9-17-37;;;;;/h4-7,10-13,21,28-29,34H,3,8-9,14-20,22-24H2,1-2H3,(H,35,40);2*1H;3*1H2/t28-;;;;;/m1...../s1

SMILES Code

O=C(N[C@H](CC1=CNC2=C1C=CC=C2)CN(C(C)=O)CC3=CC=CC=C3OC)CN4CCC(N5CCCCC5)CC4.[H]Cl.[H]Cl.[H]O[H].[H]O[H].[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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 686.71 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.

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

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