WARNING: This product is for research use only, not for human or veterinary use.
Hodoodo CAT#: H412164
CAS#: 77-12-3 (Cl)
Description: Pentacynium chloride is a biochemical
Hodoodo Cat#: H412164
Name: Pentacynium chloride
CAS#: 77-12-3 (Cl)
Chemical Formula: C27H39Cl2N3O
Exact Mass: 491.25
Molecular Weight: 492.530
Elemental Analysis: C, 65.84; H, 7.98; Cl, 14.40; N, 8.53; O, 3.25
This product is not in stock, which may be available by custom synthesis.
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Related CAS #: 77-12-3 (Cl) 13087-58-6 (free base)
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:
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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.
| 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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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.
