Mrv0541 08261312312D 49 53 0 0 1 0 999 V2000 -2.7822 2.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2144 -2.3170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0337 -1.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5372 1.8467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1900 -4.3102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7905 0.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0990 0.8203 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7734 -0.3218 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6057 0.0805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0262 -0.0315 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3236 0.3075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6944 1.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6664 -3.1794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4621 1.3786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3931 -2.7906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2704 2.3468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2304 -0.7673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7141 0.5928 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3716 1.3328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7257 -3.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4032 2.9813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4648 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9293 -0.2208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2566 1.8418 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0491 -2.7443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2573 -0.4075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4233 2.6501 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3687 2.7496 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7087 -1.4905 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.0404 1.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2229 1.2791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0718 1.7326 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1665 2.5498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4826 -2.9106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0904 -1.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5753 -2.0921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9189 -1.5621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7605 2.0954 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4075 -1.9636 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.8227 1.4701 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -1.9507 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.6722 1.2316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1499 -3.4608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5585 -0.9495 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 2.1187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0620 0.0000 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -5.9602 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -0.7515 3.2971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5210 -1.3465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9 6 1 0 0 0 0 10 7 2 0 0 0 0 11 8 2 0 0 0 0 14 12 1 0 0 0 0 15 13 1 0 0 0 0 22 6 2 0 0 0 0 22 7 1 0 0 0 0 22 16 1 0 0 0 0 23 8 1 0 0 0 0 23 17 1 0 0 0 0 23 18 2 0 0 0 0 24 12 1 0 0 0 0 24 19 2 0 0 0 0 25 13 1 0 0 0 0 25 20 2 0 0 0 0 26 9 2 0 0 0 0 26 10 1 0 0 0 0 27 21 2 0 0 0 0 27 24 1 0 0 0 0 28 16 1 0 0 0 0 28 27 1 0 0 0 0 29 17 1 0 0 0 0 30 11 1 0 0 0 0 31 18 1 0 0 0 0 31 30 2 0 0 0 0 32 19 1 0 0 0 0 33 21 1 0 0 0 0 33 32 2 0 0 0 0 34 20 1 0 0 0 0 35 25 1 0 0 0 0 35 29 1 0 0 0 0 36 34 2 0 0 0 0 37 35 2 0 0 0 0 37 36 1 0 0 0 0 38 1 1 0 0 0 0 38 14 1 0 0 0 0 38 28 1 0 0 0 0 39 2 1 0 0 0 0 39 3 1 0 0 0 0 39 15 1 0 0 0 0 39 29 1 0 0 0 0 40 30 1 0 0 0 0 41 36 1 0 0 0 0 42 4 1 0 0 0 0 42 32 1 0 0 0 0 43 5 1 0 0 0 0 43 34 1 0 0 0 0 44 26 1 0 0 0 0 44 37 1 0 0 0 0 45 31 1 0 0 0 0 45 33 1 0 0 0 0 28 48 1 6 0 0 0 29 49 1 6 0 0 0 M CHG 2 39 1 41 -1 M END > CHEM016929 > chemdb > Cl.Cl.[H][C@@]12CC3=CC=C(OC4=C5C(CC[N+](C)(C)[C@]5([H])CC5=CC(OC6=C(OC)C=C(CCN1C)C2=C6)=C(O)C=C5)=CC(OC)=C4[O-])C=C3 > InChI=1S/C37H40N2O6.2ClH/c1-38-14-12-24-19-32(42-4)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-37-35-25(20-34(43-5)36(37)41)13-15-39(2,3)29(35)17-23-8-11-30(40)31(18-23)45-33;;/h6-11,18-21,28-29H,12-17H2,1-5H3,(H-,40,41);2*1H/t28-,29+;;/m0../s1 > GXFZCDMWGMFGFL-KKXMJGKMSA-N > C37H42Cl2N2O6 > 681.645 > 680.2419925 > 5 > 65.88482269085691 > 1 > 1 > 0 > 0 > (1S,16R)-21-hydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-15-ium-9-olate dihydrochloride > 2.85 > 3.144135107944982 > -6.59 > 0 > 7 > 2 > 9.15982929107306 > 8.58514847464613 > 8.053604700777372 > 83.45000000000002 > 197.61389999999997 > 2 > 0 > 1.71e-04 g/l > (1S,16R)-21-hydroxy-10,25-dimethoxy-15,15,30-trimethyl-7,23-dioxa-15,30-diazaheptacyclo[22.6.2.2³,⁶.1⁸,¹².1¹⁸,²².0²⁷,³¹.0¹⁶,³⁴]hexatriaconta-3,5,8(34),9,11,18(33),19,21,24,26,31,35-dodecaen-15-ium-9-olate dihydrochloride > 0 > (+)-Tubocurarine chloride hydrochloride > 57-94-3 $$$$