MedKoo Cat#: 573860 | Name: Amitriptyline N-glucuronide

Description:

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

Amitriptyline N-glucuronide is a tricyclic antidepressant with anticholinergic and sedative properties.

Chemical Structure

Amitriptyline N-glucuronide
Amitriptyline N-glucuronide
CAS#112806-33-4

Theoretical Analysis

MedKoo Cat#: 573860

Name: Amitriptyline N-glucuronide

CAS#: 112806-33-4

Chemical Formula: C26H31NO6

Exact Mass: 453.2151

Molecular Weight: 453.53

Elemental Analysis: C, 68.86; H, 6.89; N, 3.09; O, 21.17

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Synonym
Amitriptyline N-glucuronide, AT-N-Gluc
IUPAC/Chemical Name
1-Propanaminium, 3-(10,11-dihydro-5H-dibenzo(a,d)cyclohepten-5-ylidene)-N-beta-D-glucopyranuronosyl-N,N-dimethyl-, hydroxide, inner salt
InChi Key
WXMXRAPAGYPAJI-ARXROMJUSA-N
InChi Code
1S/C26H31NO6/c1-27(2,25-23(30)21(28)22(29)24(33-25)26(31)32)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20/h3-6,8-12,21-25,28-30H,7,13-15H2,1-2H3/t21-,22-,23+,24-,25+/m0/s1
SMILES Code
C[N+](C)(CCC=C1c2ccccc2CCc3ccccc13)[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(=O)[O-]
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 453.53 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: Dahl-Puustinen ML, Bertilsson L. Formation of a quaternary N-glucuronide of amitriptyline in human liver microsomes. Pharmacol Toxicol. 1987 Nov;61(5):342-6. doi: 10.1111/j.1600-0773.1987.tb01832.x. PMID: 3438230. 2: Breyer-Pfaff U, Becher B, Nusser E, Nill K, Baier-Weber B, Zaunbrecher D, Wachsmuth H, Prox A. Quaternary N-glucuronides of 10-hydroxylated amitriptyline metabolites in human urine. Xenobiotica. 1990 Jul;20(7):727-38. doi: 10.3109/00498259009046888. PMID: 2238706. 3: Dahl-Puustinen ML, Aberg-Wistedt A, Bertilsson L. Glucuronidation of amitriptyline in man in vivo. Pharmacol Toxicol. 1989 Jul;65(1):37-9. doi: 10.1111/j.1600-0773.1989.tb01123.x. PMID: 2780506.