Doxacurium Free Base | CAS# 133814-18-3 (free base) | neuromuscular-blocking drug or skeletal muscle relaxant

MedKoo Cat#: 413915 | Name: Doxacurium Free Base

Description:

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

Doxacurium Free Base is a neuromuscular-blocking drug or skeletal muscle relaxant in the category of non-depolarizing neuromuscular-blocking drugs, used adjunctively in anesthesia to provide skeletal muscle relaxation during surgery or mechanical ventilation.

Chemical Structure

Doxacurium Free Base

CAS#133814-18-3 (free base)

Theoretical Analysis

MedKoo Cat#: 413915

Name: Doxacurium Free Base

CAS#: 133814-18-3 (free base)

Chemical Formula: C56H78N2O162+

Exact Mass: 1034.5340

Molecular Weight: 1035.24

Elemental Analysis: C, 64.97; H, 7.59; N, 2.71; O, 24.73

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 #

133814-18-3 (free base) 106819-53-8 (chloride)

Synonym

Doxacurium Free Base

IUPAC/Chemical Name

(1S,2R)-6,7,8-trimethoxy-2-methyl-2-(3-((4-oxo-4-(3-((1R,2S)-6,7,8-trimethoxy-2-methyl-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propoxy)butanoyl)oxy)propyl)-1-(3,4,5-trimethoxybenzyl)-1,2,3,4-tetrahydroisoquinolin-2-ium

InChi Key

GBLRQXKSCRCLBZ-IYQFLEDGSA-N

InChi Code

InChI=1S/C56H78N2O16/c1-57(23-19-37-33-45(65-7)53(69-11)55(71-13)49(37)39(57)27-35-29-41(61-3)51(67-9)42(30-35)62-4)21-15-25-73-47(59)17-18-48(60)74-26-16-22-58(2)24-20-38-34-46(66-8)54(70-12)56(72-14)50(38)40(58)28-36-31-43(63-5)52(68-10)44(32-36)64-6/h29-34,39-40H,15-28H2,1-14H3/q+2/t39-,40+,57-,58+

SMILES Code

COc1c(OC)c(OC)cc(C[C@@H]2c3c(OC)c(OC)c(OC)cc3CC[N@+]2(CCCOC(CCC(OCCC[N@+]4(CCc5c([C@@H]4Cc6cc(OC)c(OC)c(OC)c6)c(OC)c(OC)c(OC)c5)C)=O)=O)C)c1

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

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 1,035.24 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

1: Faulds D, Clissold SP. Doxacurium. A review of its pharmacology and clinical potential in anaesthesia. Drugs. 1991 Oct;42(4):673-89. doi: 10.2165/00003495-199142040-00009. PMID: 1723368. 2: Kantor GS, Hoffman WD, Popovich MJ. Doxacurium vs. Pancuronium. Crit Care Med. 1996 Feb;24(2):366-7. doi: 10.1097/00003246-199602000-00036. PMID: 8605819. 3: Kern C, Tassonyi E, Rouge JC, Wilder-Smith OH, Pittet JF. Doxacurium pharmacodynamics in children during volatile and opioid-based anaesthesia. Anaesthesia. 1996 Apr;51(4):361-4. doi: 10.1111/j.1365-2044.1996.tb07749.x. PMID: 8686826. 4: McDonagh P, Dupuis JY, Curran M, Kitts J, Wynands JE. Pharmacodynamics of doxacurium during cardiac surgery with hypothermic cardiopulmonary bypass. Can J Anaesth. 1996 Feb;43(2):134-40. doi: 10.1007/BF03011254. PMID: 8825538. 5: Doxacurium. Med Lett Drugs Ther. 1991 Jul 26;33(849):73-4. PMID: 1829783. 6: Prielipp RC, Robinson JC, Wilson JA, MacGregor DA, Scuderi PE. Dose response, recovery, and cost of doxacurium as a continuous infusion in neurosurgical intensive care unit patients. Crit Care Med. 1997 Jul;25(7):1236-41. doi: 10.1097/00003246-199707000-00028. PMID: 9233753. 7: Fisher DM, Reynolds KS, Schmith VD, Hsu J, Sokoll MD, Lennon RL, Caldwell JE. The influence of renal function on the pharmacokinetics and pharmacodynamics and simulated time course of doxacurium. Anesth Analg. 1999 Sep;89(3):786-95. doi: 10.1097/00000539-199909000-00049. PMID: 10475326. 8: Cashman JN, Luke JJ, Jones RM. Neuromuscular block with doxacurium (BW A938U) in patients with normal or absent renal function. Br J Anaesth. 1990 Feb;64(2):186-92. doi: 10.1093/bja/64.2.186. PMID: 2138489. 9: Bevan JC, Purday JP, Reimer EJ, Bevan DR. Reversal of doxacurium and pancuronium neuromuscular blockade with neostigmine in children. Can J Anaesth. 1994 Nov;41(11):1074-80. doi: 10.1007/BF03015657. PMID: 7828255. 10: Murray MJ, Coursin DB, Scuderi PE, Kamath G, Prough DS, Howard DM, Abou- Donia MA. Double-blind, randomized, multicenter study of doxacurium vs. pancuronium in intensive care unit patients who require neuromuscular-blocking agents. Crit Care Med. 1995 Mar;23(3):450-8. doi: 10.1097/00003246-199503000-00007. PMID: 7874894.