MedKoo Cat#: 125996 | Name: Rocastine hydrochloride anhydrous

Description:

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

Rocastine is a rapid-acting, potent, nonsedating antihistamine. In guinea pigs challenged with a lethal dose of histamine, rocastine is as effective as brompheniramine, chlorpheniramine, pyrilamine, and promethazine and superior to astemizole, diphenhydramine, terfenadine, and oxatomide. Rocastine protected guinea pigs from collapse induced by aerosolized antigen; rocastine was approximately 36 x more potent (based on 1 hr PD50) than diphenhydramine and as potent as oxatomide and terfenadine. Rocastine did not alter the EEG of cats at doses in vast excess (150x) of its antihistaminic dose nor did it potentiate yohimbine toxicity in mice. Further, rocastine possesses no anticholinergic, antiadrenergic, or antiserotonergic properties in vitro.

Chemical Structure

Rocastine hydrochloride anhydrous
Rocastine hydrochloride anhydrous
CAS#111672-14-1 (HCl anhydrous)

Theoretical Analysis

MedKoo Cat#: 125996

Name: Rocastine hydrochloride anhydrous

CAS#: 111672-14-1 (HCl anhydrous)

Chemical Formula: C13H20ClN3OS

Exact Mass: 301.1016

Molecular Weight: 301.83

Elemental Analysis: C, 51.73; H, 6.68; Cl, 11.74; N, 13.92; O, 5.30; S, 10.62

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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Synonym
Rocastine hydrochloride anhydrous; Rocastine HCl anhydrous; Rocastine HCl; AHR-11325; AHR 11325; AHR11325;
IUPAC/Chemical Name
2-(2-(dimethylamino)ethyl)-4-methyl-3,4-dihydropyrido[3,2-f][1,4]oxazepine-5(2H)-thione hydrochloride
InChi Key
AQBJYGHPCGJKGB-UHFFFAOYSA-N
InChi Code
InChI=1S/C13H19N3OS.ClH/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;/h4-5,7,10H,6,8-9H2,1-3H3;1H
SMILES Code
Cl.CN(C)CCC1CN(C)C(=S)C2=C(O1)N=CC=C2
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 301.83 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: Sleevi MC, Cale AD Jr, Gero TW, Jaques LW, Welstead WJ, Johnson AF, Kilpatrick BF, Demian I, Nolan JC, Jenkins H. Optical isomers of rocastine and close analogues: synthesis and H1 antihistaminic activity of its enantiomers and their structural relationship to the classical antihistamines. J Med Chem. 1991 Apr;34(4):1314-28. PubMed PMID: 1673158. 2: Cale AD Jr, Gero TW, Walker KR, Lo YS, Welstead WJ Jr, Jaques LW, Johnson AF, Leonard CA, Nolan JC, Johnson DN. Benzo- and pyrido-1,4-oxazepin-5-ones and -thiones: synthesis and structure-activity relationships of a new series of H1 antihistamines. J Med Chem. 1989 Sep;32(9):2178-99. PubMed PMID: 2570152. 3: Nolan JC, Stephens DJ, Proakis AG, Leonard CA, Johnson DN, Kilpatrick BF, Foxwell MH, Yanni JM. Rocastine (AHR-11325), a rapid acting, nonsedating antihistamine. Agents Actions. 1989 Aug;28(1-2):53-61. PubMed PMID: 2571244.