WARNING: This product is for research use only, not for human or veterinary use.
MedKoo CAT#: 581591
CAS#: 102281-01-6
Description: O-Demethyldeacetyldiltiazem hydrochloride is a biochemical.
MedKoo Cat#: 581591
Name: O-Demethyldeacetyldiltiazem hydrochloride
CAS#: 102281-01-6
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
This product is not in stock, which may be available by custom synthesis.
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Synonym: O-Demethyldeacetyldiltiazem hydrochloride; Deacetyl o-desmethyl diltiazem hydrochloride;
IUPAC/Chemical Name: 1,5-Benzothiazepin-4(5H)-one, 5-(2-(dimethylamino)ethyl)-2,3-dihydro-3-hydroxy-2-(4-hydroxyphenyl)-, monohydrochloride, (2S-cis)-
InChi Key: NPMHEOKYIXUNBP-URBRKQAFSA-N
InChi Code: InChI=1S/C19H22N2O3S.ClH/c1-20(2)11-12-21-15-5-3-4-6-16(15)25-18(17(23)19(21)24)13-7-9-14(22)10-8-13;/h3-10,17-18,22-23H,11-12H2,1-2H3;1H/t17-,18+;/m1./s1
SMILES Code: O=C1[C@H](O)[C@H](C2=CC=C(O)C=C2)SC3=CC=CC=C3N1CCN(C)C.[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
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, Prescott C, Haddad C, Montague TJ, McGregor C, Quilliam MA, Xei M, Li R, Farmer P, Klassen GA. Pharmacokinetics and metabolism of diltiazem in healthy males and females following a single oral dose. Eur J Drug Metab Pharmacokinet. 1993 Apr-Jun;18(2):199-206. PubMed PMID: 8243504.
2: Yeung PK, Mosher SJ, Macrae DA, Klassen GA. Effect of diltiazem and its metabolites on the uptake of adenosine in blood: an in-vitro investigation. J Pharm Pharmacol. 1991 Oct;43(10):685-9. PubMed PMID: 1682442.
3: Yeung PK, Mosher SJ, Quilliam MA, Montague TJ. Species comparison of pharmacokinetics and metabolism of diltiazem in humans, dogs, rabbits, and rats. Drug Metab Dispos. 1990 Nov-Dec;18(6):1055-9. PubMed PMID: 1981512.
