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: Pyrido(3,2-f)-1,4-oxazepine-5(2H)-thione, 2-(2-(dimethylamino)ethyl)-3,4-dihydro-4-methyl-, (2E)-2-butenedioate
• 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: CN(C)CCC1CN(C)C(=S)c2cccnc2O1.OC(=O)C=CC(=O)O

Rocastine fumarate is a fast-acting and non-sedating antihistamine.

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.