Ketcher 01121613292D 1 1.00000 0.00000 0 37 38 0 1 0 999 V2000 12.3010 -7.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3010 -6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1503 -6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9995 -6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9995 -7.5867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1503 -8.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1503 -9.0854 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8988 -6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4018 -6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5525 -6.5874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 -6.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4018 -5.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 -6.5874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 -7.1370 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7032 -8.1363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8539 -8.6359 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 -8.0863 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9546 -7.0871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6532 -9.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3535 -10.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3543 -10.1345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0045 -9.1853 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7548 -10.9339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8123 -5.5904 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 -5.0407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9631 -5.0907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9631 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8623 -3.5920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7116 -4.0915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7555 -6.6016 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.9154 -5.0892 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.7639 -5.5886 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2853 -9.5848 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.0153 -9.5848 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.1503 -10.0842 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.2690 -11.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5142 -11.4293 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 2 3 1 0 0 0 3 4 2 0 0 0 4 5 1 0 0 0 5 6 2 0 0 0 1 6 1 0 0 0 6 7 1 0 0 0 4 8 1 0 0 0 2 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 9 12 1 6 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 13 18 1 0 0 0 16 19 1 1 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 16 22 1 0 0 0 21 23 2 0 0 0 13 24 1 1 0 0 11 13 1 0 0 0 25 24 2 0 0 0 24 26 1 0 0 0 26 27 2 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 25 29 1 0 0 0 8 30 1 0 0 0 8 31 1 0 0 0 8 32 1 0 0 0 7 33 1 0 0 0 7 34 1 0 0 0 7 35 1 0 0 0 M END > CHEBI:90911 > rolapitant hydrochloride hydrate > A hydrate that is the monohydrate form of rolapitant hydrochloride. Used for the prevention of delayed nausea and vomiting associated with initial and repeat courses of emetogenic cancer chemotherapy. > 3 > SCH619734; Sch 619734; rolapitant.HCl.H2O; rolapitant monohydrochloride monohydrate; Rolapitant hydrochloride; Rolapitant HCl; (5S,8S)-8-(((1R)-1-(3,5-bis(Trifluoromethyl)phenyl)ethoxy)methyl)-8-phenyl-1,7-diazaspiro(4.5)decan-2-one monohydrochloride monohydrate > (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-8-phenyl-1,7-diazaspiro[4.5]decan-2-one hydrochloride--water (1/1); (5S,8S)-8-({(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}methyl)-2-oxo-8-phenyl-1,7-diazaspiro[4.5]decan-7-ium chloride--water (1/1) > VARUBI > C25H29ClF6N2O3 > 554.954 > 554.17709 > 0 > C1=C(C=C(C=C1C(F)(F)F)C(F)(F)F)[C@H](OC[C@@]2(NC[C@]3(CC2)CCC(N3)=O)C4=CC=CC=C4)C.O.Cl > InChI=1S/C25H26F6N2O2.ClH.H2O/c1-16(17-11-19(24(26,27)28)13-20(12-17)25(29,30)31)35-15-23(18-5-3-2-4-6-18)10-9-22(14-32-23)8-7-21(34)33-22;;/h2-6,11-13,16,32H,7-10,14-15H2,1H3,(H,33,34);1H;1H2/t16-,22-,23-;;/m1../s1 > GZQWMYVDLCUBQX-WVZIYJGPSA-N > 914462-92-3 > 15570190 > 914462-92-3 > D08988 > 26467681; 26535019 $$$$