MedKoo Cat#: 412164 | Name: Pentacynium chloride

Description:

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

Pentacynium chloride is a biochemical

Chemical Structure

Pentacynium chloride
Pentacynium chloride
CAS#77-12-3 (Cl)

Theoretical Analysis

MedKoo Cat#: 412164

Name: Pentacynium chloride

CAS#: 77-12-3 (Cl)

Chemical Formula: C27H39Cl2N3O

Exact Mass: 491.2470

Molecular Weight: 492.53

Elemental Analysis: C, 65.84; H, 7.98; Cl, 14.40; N, 8.53; O, 3.25

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
Pentacynium chloride; BW139C55; BW-139C55; BW 139C55
IUPAC/Chemical Name
4-(2-((5-Cyano-5,5-diphenyl-pentyl)methylamino)ethyl)-4-methylmorpholinium chloride methochloride
InChi Key
XSHMERUFTMTCBO-UHFFFAOYSA-M
InChi Code
InChI=1S/C26H36N3O.CH3Cl.ClH/c1-28(17-18-29(2)19-21-30-22-20-29)16-10-9-15-26(23-27,24-11-5-3-6-12-24)25-13-7-4-8-14-25;1-2;/h3-8,11-14H,9-10,15-22H2,1-2H3;1H3;1H/q+1;;/p-1
SMILES Code
C[N+]1(CCN(CCCCC(C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C)CCOCC1.CCl.[Cl-]
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
2934.99.9001
More Info

Preparing Stock Solutions

The following data is based on the product molecular weight 492.53 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: Boura AL, Hodgson WC, King RG. Sensitivity changes of the perfused hindquarters' vasculature in rats with alloxan-induced diabetes mellitus. Clin Exp Pharmacol Physiol. 1987 May;14(5):481-7. doi: 10.1111/j.1440-1681.1987.tb01000.x. PMID: 3677485. 2: GREEN AF, SIM MF. Diuresis in rats: effects of sympathomimetic and sympathetic blocking agents. Br J Pharmacol Chemother. 1961 Dec;17(3):464-72. doi: 10.1111/j.1476-5381.1961.tb01133.x. PMID: 13901392; PMCID: PMC1482093. 3: Boura AL, Duncombe WG, McCoubrey A. The distribution of some quaternary ammonium salts in the peripheral nervous system of cats in relation to the adrenergic blocking action of bretylium. Br J Pharmacol Chemother. 1961 Aug;17(1):92-100. doi: 10.1111/j.1476-5381.1961.tb01108.x. PMID: 19108157; PMCID: PMC1482063. 4: COX JR, DALY JJ. Effects of pentacynium methylsulphate on renal circulation in hypertension. Br Med J. 1958 Jul 12;2(5088):78-80. doi: 10.1136/bmj.2.5088.78. PMID: 13546652; PMCID: PMC2025762. 5: McKENDRICK CS, JONES PO. Pentacynium bis-methylsulphate (presidal) in the management of hypertension. Lancet. 1958 Feb 15;1(7016):340-3. doi: 10.1016/s0140-6736(58)90968-1. PMID: 13515206.