Rocastine fumarate

• CAT Number: I035653
• CAS Number: 91833-50-0
• Molecular Formula: C17H23N3O5S
• Molecular Weight: 381.45
• Purity: 98%
• Synonyms: AHR-11325, Rocastine fumarate
• Solubility: Soluble in DMSO
• Appearance: Solid powder
• Storage: Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
• IUPAC Name: (E)-but-2-enedioic acid;2-[2-(dimethylamino)ethyl]-4-methyl-2,3-dihydropyrido[3,2-f][1,4]oxazepine-5-thione
• InChI: InChI=1S/C13H19N3OS.C4H4O4/c1-15(2)8-6-10-9-16(3)13(18)11-5-4-7-14-12(11)17-10;5-3(6)1-2-4(7)8/h4-5,7,10H,6,8-9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
• InChIKey: LZFCSDIBLCSFAK-WLHGVMLRSA-N
• SMILES: CN1CC(OC2=C(C1=S)C=CC=N2)CCN(C)C.C(=C/C(=O)O)\C(=O)O

Rocastine fumarate（Cat No.:I035653）is a pharmaceutical compound used as an antihistamine, primarily for the treatment of allergic rhinitis, hay fever, and other allergic conditions. It is the fumarate salt form of rocastine, which selectively inhibits the histamine H1 receptor, reducing allergic symptoms such as sneezing, itching, and nasal congestion. Rocastine has a relatively long duration of action and is non-sedating, making it suitable for daily use without significant drowsiness. It is often used in both acute and chronic allergic conditions and is marketed in various forms, including oral tablets.

Reference

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.