MedKoo Cat#: 125539 | Name: N-Demethyldiltiazem

Description:

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

N-Demethyldiltiazem is a non-dihydropyridine calcium channel blocker.

Chemical Structure

N-Demethyldiltiazem
N-Demethyldiltiazem
CAS#86408-45-9 (free base)

Theoretical Analysis

MedKoo Cat#: 125539

Name: N-Demethyldiltiazem

CAS#: 86408-45-9 (free base)

Chemical Formula: C21H24N2O4S

Exact Mass: 400.1500

Molecular Weight: 400.49

Elemental Analysis: C, 62.98; H, 6.04; N, 6.99; O, 15.98; S, 8.01

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.
Bulk Inquiry
Synonym
N-Demethyldiltiazem; N-Desmethyldiltiazem; 85100-17-0; N-Monodemethyldiltiazem; 86408-45-9;
IUPAC/Chemical Name
(2S,3S)-2-(4-methoxyphenyl)-5-(2-(methylamino)ethyl)-4-oxo-2,3,4,5-tetrahydrobenzo[b][1,4]thiazepin-3-yl acetate
InChi Key
YOMLDISQSWWYOT-UXHICEINSA-N
InChi Code
InChI=1S/C21H24N2O4S/c1-14(24)27-19-20(15-8-10-16(26-3)11-9-15)28-18-7-5-4-6-17(18)23(21(19)25)13-12-22-2/h4-11,19-20,22H,12-13H2,1-3H3/t19-,20+/m1/s1
SMILES Code
CNCCN1C2=CC=CC=C2S[C@H]([C@@H](OC(C)=O)C1=O)C3=CC=C(OC)C=C3
Appearance
To be determined
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

Preparing Stock Solutions

The following data is based on the product molecular weight 400.49 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: Boyd RA, Chin SK, Don-Pedro O, Verotta D, Sheiner LB, Williams RL, Giacomini KM. The pharmacokinetics and pharmacodynamics of diltiazem and its metabolites in healthy adults after a single oral dose. Clin Pharmacol Ther. 1989 Oct;46(4):408-19. doi: 10.1038/clpt.1989.159. PMID: 2791444. 2: Andrén L, Höglund P, Dotevall A, Eggertsen R, Svensson A, Olson SO, Wadenvik H. Diltiazem in hypertensive patients with type II diabetes mellitus. Am J Cardiol. 1988 Oct 5;62(11):114G-120G. doi: 10.1016/0002-9149(88)90043-4. PMID: 3177228. 3: Bregante MA, Aramayona JJ, Fraile LJ, Garcia MA, Solans C. Diltiazem blood pharmacokinetics in the pregnant and non-pregnant rabbit: maternal and foetal tissue levels. Xenobiotica. 2000 Aug;30(8):831-41. doi: 10.1080/00498250050119871. PMID: 11037114. 4: Sigusch H, Henschel L, Kraul H, Merkel U, Hoffmann A. Lack of effect of grapefruit juice on diltiazem bioavailability in normal subjects. Pharmazie. 1994 Sep;49(9):675-9. PMID: 7972311. 5: Höglund P, Nilsson LG. Pharmacokinetics of diltiazem and its metabolites after repeated single dosing in healthy volunteers. Ther Drug Monit. 1989 Sep;11(5):551-7. PMID: 2815230. 6: Höglund P, Nilsson LG. Pharmacokinetics of diltiazem and its metabolites after single and multiple dosing in healthy volunteers. Ther Drug Monit. 1989 Sep;11(5):558-66. PMID: 2815231. 7: Hussain MD, Tam YK, Finegan BA, Coutts RT. Simple and sensitive high- performance liquid chromatographic method for the determination of diltiazem and six of its metabolites in human plasma. J Chromatogr. 1992 Nov 6;582(1-2):203-9. doi: 10.1016/0378-4347(92)80320-p. PMID: 1491042.