Lanepitant HCl trihydrate

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

MedKoo CAT#: 598285

CAS#: 167678-33-3

Description: 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

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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: 0.00
Molecular Weight: 686.710
Elemental Analysis: C, 57.72; H, 7.78; Cl, 10.32; N, 10.20; O, 13.98

Price and Availability

This product is not in stock, which may be available by custom synthesis. For cost-effective reason, minimum order is 1g (price is usually high, lead time is 2~3 months, depending on the technical challenge). Quote less than 1g will not be provided. To request quote, please email to sales @medkoo.com or click below button.
Note: Price will be listed if it is available in the future.

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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:

Biological target:
In vitro activity:
In vivo activity:

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.

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
Formulation protocol:
In vitro protocol:
In vivo protocol:

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