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MedKoo Cat#: 578365 | Name: Temiverine hydrochloride monohydrate

Description:

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

Temiverine hydrochloride monohydrate is an anticholinergic drug with calcium antagonistic activity.

Chemical Structure

Temiverine hydrochloride monohydrate
Temiverine hydrochloride monohydrate
CAS#791115-04-3

Theoretical Analysis

MedKoo Cat#: 578365

Name: Temiverine hydrochloride monohydrate

CAS#: 791115-04-3

Chemical Formula: C24H38ClNO4

Exact Mass: 439.2489

Molecular Weight: 440.02

Elemental Analysis: C, 65.51; H, 8.71; Cl, 8.06; N, 3.18; O, 14.54

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.
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Related CAS #
No Data
Synonym
NS-21; NS 21; NS21; Temiverine hydrochloride monohydrate; Temiverine HCl monohydrate; Temiverine HCl hydrate; Urespan
IUPAC/Chemical Name
Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-1,1-dimethyl-2-butynyl ester, hydrochloride, monohydrate
InChi Key
FERSVTRMSSXKOL-UHFFFAOYSA-N
InChi Code
InChI=1S/C24H35NO3.ClH.H2O/c1-5-25(6-2)19-13-18-23(3,4)28-22(26)24(27,20-14-9-7-10-15-20)21-16-11-8-12-17-21;;/h7,9-10,14-15,21,27H,5-6,8,11-12,16-17,19H2,1-4H3;1H;1H2
SMILES Code
O.Cl.CCN(CC)CC#CC(C)(C)OC(=O)C(O)(C1CCCCC1)c2ccccc2
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
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 440.02 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: Nakamura A, Hirota T, Morino A, Imaoka S, Funae Y, Yamamoto Y, Tasaki T, Masuda M, Kazusaka A, Fujita S. Cytochrome P450 isoforms responsible for the N-deethylation and cyclohexane-hydroxylation of NS-21. Xenobiotica. 1999 Mar;29(3):243-52. PubMed PMID: 10219965. 2: Natsukawa T, Matsuzaki T, Hayashi S, Ukai Y, Yoshikuni Y, Kimura K. Comparison of the effects of NS-21 and terodiline on the QTc interval in dogs. Gen Pharmacol. 1998 Jan;30(1):137-42. PubMed PMID: 9457495. 3: Hamada K, Sasaki Y, Taniguchi N, Fukui H, Miyatsuka Y, Kimura Y, Ukai Y, Yoshikuni Y, Kimura K. Anticholinergic and calcium antagonistic activities of NS-21 contribute to the inhibition of rat urinary bladder contractions. Gen Pharmacol. 1997 Nov;29(5):771-8. PubMed PMID: 9347324. 4: Sasaki Y, Hamada K, Yamazaki C, Seto T, Kimura Y, Ukai Y, Yoshikuni Y, Kimura K. Effect of NS-21, an anticholinergic drug with calcium antagonistic activity, on lower urinary tract function in a rat model of urinary frequency. Int J Urol. 1997 Jul;4(4):401-6. PubMed PMID: 9256331. 5: Hayashi S, Natsukawa T, Ukai Y, Yoshikuni Y, Kimura K. Inhibitory effects of NS-21, a novel drug for urinary incontinence, and its active metabolite, RCC-36, on L-type calcium currents in isolated guinea pig detrusor smooth muscle cells. Naunyn Schmiedebergs Arch Pharmacol. 1997 May;355(5):659-66. PubMed PMID: 9151307. 6: Hayashi S, Natsukawa T, Suma C, Ukai Y, Yoshikuni Y, Kimura K. Cardiac electrophysiological actions of NS-21 and its active metabolite, RCC-36, compared with terodiline. Naunyn Schmiedebergs Arch Pharmacol. 1997 May;355(5):651-8. PubMed PMID: 9151306. 7: Okasaki K, Nagata R, Ohnishi M, Samejima H, Fujisawa H, Kimura K. [Antigenicity study of (+/-)-4-diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrate (NS-21), a novel drug for urinary frequency and incontinence]. J Toxicol Sci. 1997 Apr;22 Suppl 1:307-13. Japanese. Erratum in: J Toxicol Sci 1997 Nov;22 Suppl 2:435. PubMed PMID: 9170617. 8: Hatch RC, Regan KS, Ishibashi S, Nakazawa M, Iwakura K, Sumi N. Two-year dietary carcinogenicity study of (+/-)-4-diethylamino-1, 1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrate (NS-21), a novel drug for urinary frequency and incontinence, in rats. J Toxicol Sci. 1997 Apr;22 Suppl 1:289-306. PubMed PMID: 9170616. 9: Hatch RC, Regan KS, Ishibashi S, Nakazawa M, Iwakura K, Sumi N. Seventy-eight-week dietary carcinogenicity study of (+/-)-4-diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrate (NS-21), a novel drug for urinary frequency and incontinence, in mice. J Toxicol Sci. 1997 Apr;22 Suppl 1:275-87. PubMed PMID: 9170615. 10: Tamura H, Yamashita Y, Kitayama E, Iwakura K, Watanabe M, Sumi N. [Mutagenicity studies of RCC-36, the active metabolite of (+/-)-4-diethylamino-1,1-dimethylbut-2-yn-1-yl 2-cyclohexyl-2-hydroxy-2-phenylacetate monohydrochloride monohydrate (NS-21), a novel drug for urinary frequency and incontinence]. J Toxicol Sci. 1997 Apr;22 Suppl 1:263-74. Japanese. Erratum in: J Toxicol Sci 1997 Nov;22 Suppl 2:435. PubMed PMID: 9170614.

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