Deacetyl-N-monodemethyldiltiazem | 40861-80-1 | hypotensive agent

MedKoo Cat#: 581572 | Name: Deacetyl-N-monodemethyldiltiazem

Description:

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

Deacetyl-N-monodemethyldiltiazem is a major metabolites of diltiazem.

Chemical Structure

Deacetyl-N-monodemethyldiltiazem

CAS#40861-80-1

Theoretical Analysis

MedKoo Cat#: 581572

Name: Deacetyl-N-monodemethyldiltiazem

CAS#: 40861-80-1

Chemical Formula: C19H23ClN2O3S

Exact Mass: 394.1118

Molecular Weight: 394.91

Elemental Analysis: C, 57.79; H, 5.87; Cl, 8.98; N, 7.09; O, 12.15; S, 8.12

Price and Availability

This product was removed for the commercial reasons.

Related CAS #

No Data

Synonym

Deacetyl-N-monodemethyldiltiazem

IUPAC/Chemical Name

1,5-Benzothiazepin-4(5H)-one, 2,3-dihydro-3-hydroxy-2-(p-methoxyphenyl)-5-(2-(methylamino)ethyl)-, monohydrochloride

InChi Key

WRRTVAXYYSGAOT-UHFFFAOYSA-N

InChi Code

InChI=1S/C19H22N2O3S.ClH/c1-20-11-12-21-15-5-3-4-6-16(15)25-18(17(22)19(21)23)13-7-9-14(24-2)10-8-13;/h3-10,17-18,20,22H,11-12H2,1-2H3;1H

SMILES Code

O=C1C(O)C(C2=CC=C(OC)C=C2)SC3=CC=CC=C3N1CCNC.[H]Cl

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

2934.99.03.00

More Info

Instruction

View handling instruction

Preparing Stock Solutions

The following data is based on the product molecular weight 394.91 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: Yeung PK, Feng JD, Buckley SJ. Pharmacokinetics and hypotensive effect of diltiazem in rabbits: comparison of diltiazem with its major metabolites. J Pharm Pharmacol. 1998 Nov;50(11):1247-53. PubMed PMID: 9877310.