MedKoo Cat#: 462059 | Name: Tematropium methylsulfate

Description:

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

Tematropium methylsulfate is soft anticholinergic.

Chemical Structure

Tematropium methylsulfate
Tematropium methylsulfate
CAS#113932-41-5

Theoretical Analysis

MedKoo Cat#: 462059

Name: Tematropium methylsulfate

CAS#: 113932-41-5

Chemical Formula: C21H31NO8S

Exact Mass: 457.1770

Molecular Weight: 457.54

Elemental Analysis: C, 55.13; H, 6.83; N, 3.06; O, 27.97; S, 7.01

Price and Availability

This product was removed for the commercial reasons.
Related CAS #
No Data
Synonym
Tematropium methylsulfate; Tematropium metilsulfate; HGP-6; CDDD 3602
IUPAC/Chemical Name
(1R,5S)-3-((3-ethoxy-3-oxo-2-phenylpropanoyl)oxy)-8,8-dimethyl-8-azabicyclo[3.2.1]octan-8-ium methyl sulfate
InChi Key
YLMCBOIUJONUGH-JFHFZLIBSA-M
InChi Code
InChI=1S/C20H28NO4.CH4O4S/c1-4-24-19(22)18(14-8-6-5-7-9-14)20(23)25-17-12-15-10-11-16(13-17)21(15,2)3;1-5-6(2,3)4/h5-9,15-18H,4,10-13H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1/t15-,16+,17?,18?;
SMILES Code
CCOC(C(C(OC1([H])C[C@]([N+](C)2C)([H])CC[C@]2([H])C1)=O)([H])C3=CC=CC=C3)=O.COS([O-])(=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 457.54 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: Huang, F., Browne, C.E., Wu, W. et al. Design, Pharmacokinetic, and Pharmacodynamic Evaluation of a New Class of Soft Anticholinergics. Pharm Res 20, 1681–1689 (2003). https://doi.org/10.1023/A:1026160023030