119171 -OEChem-10051722063D 83 87 0 1 0 0 0 0 0999 V2000 4.6139 0.3100 -0.8133 P 0 0 0 0 0 0 0 0 0 0 0 0 4.5896 0.5691 0.7948 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8232 -0.7772 -0.9090 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9378 1.5705 -1.5748 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8190 -1.3215 0.9914 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5022 -3.1085 1.6400 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8678 4.3750 -0.5388 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.6687 2.7934 -2.0481 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 -1.9377 -2.4922 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5425 -0.6297 0.7628 N 0 0 3 0 0 0 0 0 0 0 0 0 -0.4233 3.2617 -0.9101 N 0 3 0 0 0 0 0 0 0 0 0 0 6.8898 -0.1533 1.2007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8194 0.9378 1.4128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0658 -0.4229 -0.3085 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1703 -0.6156 -1.1275 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2161 -0.7977 0.0587 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4491 -1.4501 1.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2245 0.3152 1.7965 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8840 -1.1699 -2.3261 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0690 -1.7696 -0.2320 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6743 0.5374 0.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8702 -2.2702 -1.4726 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7554 -1.0221 -3.5400 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2366 -2.1674 0.9151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8869 1.2686 -0.4052 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9637 1.0310 1.7445 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2490 -3.1927 -1.8726 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3824 2.5093 -0.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4592 2.2714 2.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6685 3.0106 1.2547 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 -1.5807 2.0662 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8558 -0.5633 2.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2062 0.3544 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5213 -1.6011 0.5121 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1871 1.4962 -0.2931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3640 -2.5071 -0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6657 -1.6737 1.3144 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3119 1.4122 -1.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9532 2.6165 0.4921 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3386 -3.4732 -0.7923 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6402 -2.6400 1.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4766 -3.5397 0.0113 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2209 2.4699 -1.1264 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8624 3.6740 0.4678 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9963 3.6007 -0.3414 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6234 1.0937 2.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1422 1.8978 0.9937 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7670 -1.2464 -0.4810 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4602 0.4592 -0.8259 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8015 -1.2504 0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1965 -2.2410 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3225 -1.2871 2.9831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4979 -1.8275 1.5164 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5696 1.2380 1.3169 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1308 0.5128 2.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0052 -0.4420 1.6625 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5742 -2.3324 -3.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6432 -0.4083 -3.3756 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1874 -0.5595 -4.3546 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0974 -2.0063 -3.8784 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6687 0.8681 -1.3918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5595 0.4599 2.4511 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8604 -2.7276 -2.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -3.4429 -1.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1560 -4.1319 -2.2642 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6780 2.6589 3.1252 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2909 3.9720 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1925 -1.4987 3.0193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1231 -2.5989 1.9677 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4334 0.4381 2.1791 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5384 -0.7353 2.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1984 0.7521 -0.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1489 -0.1107 -1.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4792 -2.4778 -1.1735 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8163 -0.9744 2.1330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4966 0.5372 -1.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0742 2.6850 1.1265 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2102 -4.1752 -1.6110 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5276 -2.6903 1.6887 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2355 -4.2919 -0.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1036 2.4129 -1.7566 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6873 4.5546 1.0788 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7040 4.4243 -0.3604 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 15 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 5 24 1 0 0 0 0 5 31 1 0 0 0 0 6 24 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 9 57 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 14 48 1 0 0 0 0 14 49 1 0 0 0 0 15 16 1 0 0 0 0 15 19 2 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 16 50 1 0 0 0 0 17 51 1 0 0 0 0 17 52 1 0 0 0 0 17 53 1 0 0 0 0 18 54 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 23 1 0 0 0 0 20 22 2 0 0 0 0 20 24 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 27 1 0 0 0 0 23 58 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 25 28 1 0 0 0 0 25 61 1 0 0 0 0 26 29 2 0 0 0 0 26 62 1 0 0 0 0 27 63 1 0 0 0 0 27 64 1 0 0 0 0 27 65 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 66 1 0 0 0 0 30 67 1 0 0 0 0 31 32 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 32 70 1 0 0 0 0 32 71 1 0 0 0 0 33 35 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 40 1 0 0 0 0 36 74 1 0 0 0 0 37 41 2 0 0 0 0 37 75 1 0 0 0 0 38 43 1 0 0 0 0 38 76 1 0 0 0 0 39 44 2 0 0 0 0 39 77 1 0 0 0 0 40 42 2 0 0 0 0 40 78 1 0 0 0 0 41 42 1 0 0 0 0 41 79 1 0 0 0 0 42 80 1 0 0 0 0 43 45 2 0 0 0 0 43 81 1 0 0 0 0 44 45 1 0 0 0 0 44 82 1 0 0 0 0 45 83 1 0 0 0 0 M CHG 2 7 -1 11 1 M END > DB09235 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NSVFSAJIGAJDMR-UHFFFAOYSA-N/SDF?record_type=3d > CC1=C(C(C2=CC=CC(=C2)[N+]([O-])=O)C(=C(C)N1)P1(=O)OCC(C)(C)CO1)C(=O)OCCN(CC1=CC=CC=C1)C1=CC=CC=C1 > InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10-16-28)21-26-12-7-5-8-13-26)31(27-14-11-17-29(20-27)37(39)40)32(25(2)35-24)45(41)43-22-34(3,4)23-44-45/h5-17,20,31,35H,18-19,21-23H2,1-4H3 > NSVFSAJIGAJDMR-UHFFFAOYSA-N > C34H38N3O7P > 631.666 > 631.244737574 > 6 > 83 > 64.96417822259099 > 0 > 1 > 0 > 0 > 2-[benzyl(phenyl)amino]ethyl 5-(5,5-dimethyl-2-oxo-1,3,2λ⁵-dioxaphosphinan-2-yl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate > 5.35 > 5.443370372000003 > -6.41 > 1 > 5 > 0 > 19.490358417518895 > 2.3323812981454655 > 120.24000000000001 > 175.4000999999999 > 11 > 0 > 2.48e-04 g/l > efonidipine > 0 $$$$