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Casopitant mesylate

Catalog No.: 18444
Cas No.: 414910-30-8
Purity : >98%
18444 - Casopitant mesylate | CAS 414910-30-8

Catalog number : 18444

CAS number : 414910-30-8

Molecular Formula : C31H39F7N4O5S

Molecular Weight : 712.72

Iupac Chemical Name : (2R,4S)-4-(4-Acetyl-1-piperazinyl)-N-[(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-2-(4-fluoro-2-methylphenyl)-N-methyl-1-piperidinecarboxamide

Smile : O=C(N1[C@@H](C2=CC=C(F)C=C2C)C[C@@H](N3CCN(C(C)=O)CC3)CC1)N([C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)C.CS(=O)(O)=O

InChiKey : YRFKYVWDPCOSTE-REWBLLDVSA-N

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SynonymsGW679769; GW 679769; GW-679769; Casopitant mesylate.
Molecular FormulaC31H39F7N4O5S
Molecular Weight712.72
Appearanceoff-white solid
Purity>98%
SolubilitySoluble in DMSO
StorageDry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Shipping ConditionShipped under ambient temperature
SmileO=C(N1[C@@H](C2=CC=C(F)C=C2C)C[C@@H](N3CCN(C(C)=O)CC3)CC1)N([C@@H](C4=CC(C(F)(F)F)=CC(C(F)(F)F)=C4)C)C.CS(=O)(O)=O
InChiKeyYRFKYVWDPCOSTE-REWBLLDVSA-N
InChiInChI=1S/C30H35F7N4O2.CH4O3S/c1-18-13-24(31)5-6-26(18)27-17-25(40-11-9-39(10-12-40)20(3)42)7-8-41(27)28(43)38(4)19(2)21-14-22(29(32,33)34)16-23(15-21)30(35,36)37;1-5(2,3)4/h5-6,13-16,19,25,27H,7-12,17H2,1-4H3;1H3,(H,2,3,4)/t19-,25+,27-;/m1./s1
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Casopitant mesylate is the mesylate salt of a centrally-acting neurokinin 1 (NK1) receptor antagonist with antidepressant and antiemetic activities.

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