WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 414433
CAS#: 1211231-85-4 (trifluoroacetate)
Description: Oxicodegol trifluoroacetate is a mu-opioid agonist used in the treatment of Moderate to Severe Chronic Low Back Pain
MedKoo Cat#: 414433
Name: Oxicodegol trifluoroacetate
CAS#: 1211231-85-4 (trifluoroacetate)
Chemical Formula: C33H48F3NO11
Exact Mass: 691.3179
Molecular Weight: 691.74
Elemental Analysis: C, 57.30; H, 6.99; F, 8.24; N, 2.02; O, 25.44
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Related CAS #: 1415126-69-0 (phosphate); 1211231-85-4 (trifluoroacetate); 1211231-53-6 (HCl); 1211231-76-3 (free base)
Synonym: Oxicodegol trifluoroacetate; NKTR181 trifluoroacetate; NKTR 181 trifluoroacetate; NKTR-181 trifluoroacetate
IUPAC/Chemical Name: Morphinan-14-ol, 4,5-epoxy-6-(3,6,9,12,15,18-hexaoxanonadec-1-yloxy)-3-methoxy-17-methyl-, (5alpha,6alpha)-, 2,2,2-trifluoroacetate (1:1)
InChi Key: VLPVFQRJECMGMK-HQDKYZDVSA-N
InChi Code: InChI=1S/C33H48F3NO11/c1-37-9-8-31-27-23-4-5-24(40-3)28(27)47-29(31)25(6-7-32(31,26(37)22-23)48-30(38)33(34,35)36)46-21-20-45-19-18-44-17-16-43-15-14-42-13-12-41-11-10-39-2/h4-5,25-26,29H,6-22H2,1-3H3/t25-,26-,29+,31+,32-/m1/s1
SMILES Code: CN(CC1)[C@H]2[C@]3(OC(C(F)(F)F)=O)CC[C@@H](OCCOCCOCCOCCOCCOCCOC)[C@@]4([H])[C@]31C5=C(O4)C(OC)=CC=C5C2
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
The following data is based on the product molecular weight 691.74 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: Henningfield JE, Gudin J, Rauck R, Gimbel J, Tagliaferri M, Doberstein SK, Di Fonzo C, Lu L, Katz N, Siddhanti S, Schnoll S. Measuring Opioid Withdrawal in a Phase 3 Study of a New Analgesic, NKTR-181 (Oxycodegol), in Patients with Moderate to Severe Chronic Low Back Pain. Pain Med. 2020 Aug 1;21(8):1553-1561. doi: 10.1093/pm/pnz326. PMID: 32150255; PMCID: PMC7530570.
2: Ge X, Henningfield JE, Siddhanti S, Jobes J, Lu L, Xie S, Ziola M, Kelsh D, Vince B, Di Fonzo CJ, Tagliaferri M, Zalevsky J, Doberstein SK, Hoch U, Eldon MA. Human Abuse Potential of Oral NKTR-181 in Recreational Opioid Users: A Randomized, Double-Blind, Crossover Study. Pain Med. 2020 Feb 1;21(2):e114-e126. doi: 10.1093/pm/pnz232. PMID: 31553457.
3: Gudin J, Rauck R, Argoff C, Agaiby E, Gimbel J, Katz N, Doberstein SK, Tagliaferri M, Tagliaferri M, Potts J, Wild J, Lu L, Siddhanti S, Hale M, Markman J. Long-term Safety and Tolerability of NKTR-181 in Patients with Moderate to Severe Chronic Low Back Pain or Chronic Noncancer Pain: A Phase 3 Multicenter, Open-Label, 52-Week Study (SUMMIT-08 LTS). Pain Med. 2020 Nov 7;21(7):1347-1356. doi: 10.1093/pm/pnz169. PMID: 31361019; PMCID: PMC7372935.