9294 -OEChem-06281811243D 27 27 0 1 0 0 0 0 0999 V2000 -1.1049 -0.8064 -1.5483 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1612 0.0085 0.3213 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7436 -0.0866 0.6924 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.8642 0.1875 -0.5484 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6213 0.1641 -0.2580 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5037 -1.4751 1.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2552 1.3370 0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3125 -1.0297 -0.3697 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 1.3145 -0.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6239 1.3155 0.3810 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6813 -1.0510 -0.1018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3369 0.1217 0.2735 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5255 0.6531 1.4738 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0713 1.1587 -1.0102 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4983 -1.5616 1.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2030 -1.6658 2.1112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6396 -2.2738 0.5508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4130 -0.7226 -0.3420 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7074 2.2706 0.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8283 -1.9606 -0.6487 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0184 -0.6946 -1.8604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1439 1.4059 -1.2884 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0237 2.1323 0.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5394 1.4590 -0.2342 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1343 2.2283 0.6743 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2364 -1.9811 -0.1827 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4025 0.1048 0.4830 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 21 1 0 0 0 0 2 3 1 0 0 0 0 2 9 1 0 0 0 0 2 18 1 0 0 0 0 3 4 1 0 0 0 0 3 6 1 0 0 0 0 3 13 1 0 0 0 0 4 5 1 0 0 0 0 4 14 1 0 0 0 0 5 7 2 0 0 0 0 5 8 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 10 1 0 0 0 0 7 19 1 0 0 0 0 8 11 2 0 0 0 0 8 20 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 12 2 0 0 0 0 10 25 1 0 0 0 0 11 12 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 M END > DB01364 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/KWGRBVOPPLSCSI-WPRPVWTQSA-N/SDF?record_type=3d > CN[C@@H](C)[C@H](O)C1=CC=CC=C1 > InChI=1S/C10H15NO/c1-8(11-2)10(12)9-6-4-3-5-7-9/h3-8,10-12H,1-2H3/t8-,10-/m0/s1 > KWGRBVOPPLSCSI-WPRPVWTQSA-N > C10H15NO > 165.2322 > 165.115364107 > 2 > 27 > 18.796313018057138 > 1 > 2 > 0 > 1 > (1R,2S)-2-(methylamino)-1-phenylpropan-1-ol > 1.00 > 1.3178347283333334 > -1.30 > 0 > 1 > 1 > 13.889531450472283 > 9.524908674853327 > 32.26 > 49.68730000000001 > 3 > 1 > 8.26e+00 g/l > ephedrine > 1 $$$$