Ketcher 10082114402D 1 1.00000 0.00000 0 43 44 0 0 0 999 V2000 15.9406 -17.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0746 -17.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0746 -18.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9406 -19.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8067 -18.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8067 -17.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6726 -17.4661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5387 -17.9660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5387 -18.9660 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.6726 -19.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9406 -16.4662 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.0746 -15.9662 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2483 -16.5295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1493 -14.9689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2927 -16.2348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4162 -14.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4273 -14.4378 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9273 -15.3038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4406 -15.6001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.9407 -16.4662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2199 -17.9602 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 20.7727 -17.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9066 -17.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9066 -18.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7727 -19.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6388 -18.6849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6388 -17.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5046 -17.1850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3707 -17.6850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3707 -18.6849 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.5046 -19.1849 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7727 -16.1850 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.9067 -15.6851 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0804 -16.2483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9814 -14.6878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1248 -15.9537 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2483 -14.0077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2594 -14.1567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.7593 -15.0228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2727 -15.3190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7727 -16.1850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0724 -15.1086 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4517 -16.7155 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 6 1 1 0 0 0 6 7 1 0 0 0 7 8 2 0 0 0 8 9 1 0 0 0 9 10 2 0 0 0 10 5 1 0 0 0 1 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 14 16 1 0 0 0 15 18 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 11 19 2 0 0 0 11 20 2 0 0 0 22 23 2 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 2 0 0 0 27 22 1 0 0 0 27 28 1 0 0 0 28 29 2 0 0 0 29 30 1 0 0 0 30 31 2 0 0 0 31 26 1 0 0 0 22 32 1 0 0 0 32 33 1 0 0 0 33 34 1 0 0 0 33 35 1 0 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 39 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 32 40 2 0 0 0 32 41 2 0 0 0 M END > CHEBI:180695 > fasudil hydrochloride hydrate > A hydrate that is the hemihydrate form of fasudil hydrochloride. It is a drug indicated for the prevention of cerebral vasospasm and ensuing cerebral ischemia following surgery for subarachnoid hemorrhage. > 3 > fasudil hydrochloride hemihydrate; fasudil HCl semihydrate; fasudil HCl hemihydrate; 5-(hexahydro-1H-1,4-diazepine-1-ylsulfonyl)isoquinoline hydrochloride hemihydrate; 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline hydrochloride hydrate (2:2:1) > 5-(1,4-diazepane-1-sulfonyl)isoquinoline--hydrogen chloride--water (2/2/1) > Eril > C14H17N3O2S.C14H17N3O2S.H2O.ClH.ClH > 673.670 > 672.17222 > 0 > O.Cl.Cl.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2.O=S(=O)(N1CCCNCC1)C1=CC=CC2=C1C=CN=C2 > InChI=1S/2C14H17N3O2S.2ClH.H2O/c2*18-20(19,17-9-2-6-15-8-10-17)14-4-1-3-12-11-16-7-5-13(12)14;;;/h2*1,3-5,7,11,15H,2,6,8-10H2;2*1H;1H2 > AACOJGPCMIDLEY-UHFFFAOYSA-N > 186694-02-0 > 186694-02-0 > 15998434; 19052484; 19817300; 21433064; 21457293; 21743486; 24438608; 25120610; 28535907 $$$$