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MedKoo Cat#: 578247 | Name: NNC-220031 hydrochloride

Description:

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

NNC-220031 hydrochloride is a neuroleptic agent.

Chemical Structure

NNC-220031 hydrochloride
NNC-220031 hydrochloride
CAS#160436-12-4

Theoretical Analysis

MedKoo Cat#: 578247

Name: NNC-220031 hydrochloride

CAS#: 160436-12-4

Chemical Formula: C23H25ClFN3O5

Exact Mass: 477.1467

Molecular Weight: 477.92

Elemental Analysis: C, 57.80; H, 5.27; Cl, 7.42; F, 3.98; N, 8.79; O, 16.74

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 #
No Data
Synonym
NNC-220031 hydrochloride; NNC-220031 HCl; NNC 220031 HCl; NNC220031 HCl
IUPAC/Chemical Name
Carbamic acid, 1,3-benzodioxol-5-yl-, 3-(4-(6-fluoro-1,2-benzisoxazol-3-yl)-1-piperidinyl)propyl ester, monohydrochloride
InChi Key
GYGUWRJKLIJBQP-UHFFFAOYSA-N
InChi Code
InChI=1S/C23H24FN3O5.ClH/c24-16-2-4-18-20(12-16)32-26-22(18)15-6-9-27(10-7-15)8-1-11-29-23(28)25-17-3-5-19-21(13-17)31-14-30-19;/h2-5,12-13,15H,1,6-11,14H2,(H,25,28);1H
SMILES Code
Cl.Fc1ccc2c(noc2c1)C3CCN(CCCOC(=O)Nc4ccc5OCOc5c4)CC3
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 477.92 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. Nielsen EB, Hansen JB, Grłnvald FC, Swedberg MD, Scheideler M. NNC-19-1228 and NNC 22-0031, novel neuroleptics with a "mesolimbic-selective" behavioral profile. Psychopharmacology (Berl). 1997 Jan;129(2):168-78. doi: 10.1007/s002130050177. PMID: 9040123.