Mrv1909 04252321442D 22 24 0 0 0 0 999 V2000 3.2134 -3.6036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6003 -3.0516 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7934 -3.2231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3809 -2.5086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5739 -2.3371 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0219 -2.9502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3190 -1.5525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4880 -1.3810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 -0.5963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5499 -0.4248 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1909 0.0168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6160 -0.1548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1681 0.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8710 -0.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 -1.1109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9329 -1.8955 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6866 -2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4010 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1155 -2.2311 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8300 -1.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5445 -2.2311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2589 -1.8186 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 7 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 4 16 1 0 0 0 0 16 17 1 0 0 0 0 2 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 M END > DB17693 > drugbank > CC1=C(COCCN)C2=CC3=C(OC(=O)C=C3C)C(C)=C2O1 > InChI=1S/C17H19NO4/c1-9-6-15(19)22-16-10(2)17-13(7-12(9)16)14(11(3)21-17)8-20-5-4-18/h6-7H,4-5,8,18H2,1-3H3 > FERWCFYKULABCE-UHFFFAOYSA-N > C17H19NO4 > 301.342 > 301.131408096 > 3 > 41 > 1.001523258918732 > 33.42201841607785 > 1 > 1 > 0 > 1 > 3-[(2-aminoethoxy)methyl]-2,5,9-trimethyl-7H-furo[3,2-g]chromen-7-one > 2.033653261 > 0 > 1 > 3 > 1 > 74.69 > 84.3795 > 4 > 1 > amotosalen > 0 > DB17693 > investigational > Amotosalen > 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-7h-furo(3,2-g)chromen-7-one; 7h-furo(3,2-g)(1)benzopyran-7-one, 3-((2-aminoethoxy)methyl)-2,5,9-trimethyl-; Amotosalen > Amotosalen hydrochloride $$$$