Mrv1652301121721422D 56 56 0 0 1 0 999 V2000 -3.1422 -2.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8562 -1.6502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0430 -1.5110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4819 -2.0624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7243 -1.6459 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0112 -2.0494 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7106 -1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5044 -2.0364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0558 -1.4752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6683 -0.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8501 -0.8709 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0427 0.0179 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6265 0.7462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8643 0.8567 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7107 1.6752 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0047 2.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7239 1.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4588 2.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 1.4169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6818 0.7174 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8926 0.8706 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0558 -0.0472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6690 -0.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -0.8857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8548 1.5419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6046 2.8196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9743 3.3519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3807 3.0994 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 0.0045 2.8746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7188 3.2873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 2.8750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7186 4.1123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4330 4.5250 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4327 5.3500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1471 5.7627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8617 5.3504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 6.5877 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1475 4.1127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1478 3.2877 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8619 4.5254 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1.4686 2.0624 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0297 1.5110 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.8449 1.6379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8395 2.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6632 2.8465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0341 3.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3260 4.3551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8578 3.6306 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8703 -1.6063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6497 -2.8485 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4257 -3.1287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5946 -2.8797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1568 3.3791 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.1466 7.4127 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 3.5763 4.9381 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6814 3.6779 0.0000 Na 0 3 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 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 10 11 1 0 0 0 0 7 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 17 21 1 0 0 0 0 20 22 2 0 0 0 0 22 23 1 0 0 0 0 3 23 1 0 0 0 0 23 24 2 0 0 0 0 5 24 1 0 0 0 0 19 25 1 0 0 0 0 18 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 16 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 1 0 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 2 0 0 0 0 35 37 1 0 0 0 0 33 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 15 41 1 0 0 0 0 41 42 1 0 0 0 0 13 42 1 0 0 0 0 42 43 1 6 0 0 0 41 44 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 9 49 1 0 0 0 0 8 50 1 0 0 0 0 50 51 2 0 0 0 0 4 52 1 0 0 0 0 M CHG 8 28 -1 37 -1 40 -1 48 -1 53 1 54 1 55 1 56 1 M END > DBSALT002082 > drugbank > [Na+].[Na+].[Na+].[Na+].CCC1=C(C)\C2=C\C3=C(C=C)C(C)=C(N3)\C=C3/N=C([C@@H](CCC([O-])=O)[C@@H]3C)/C(/CC(=O)N[C@@H](CC([O-])=O)C([O-])=O)=C3\N\C(=C/C1=N2)C(C)=C3C([O-])=O > InChI=1S/C38H41N5O9.4Na/c1-7-20-16(3)24-12-26-18(5)22(9-10-32(45)46)35(42-26)23(11-31(44)41-30(37(49)50)15-33(47)48)36-34(38(51)52)19(6)27(43-36)14-29-21(8-2)17(4)25(40-29)13-28(20)39-24;;;;/h7,12-14,18,22,30,39,43H,1,8-11,15H2,2-6H3,(H,41,44)(H,45,46)(H,47,48)(H,49,50)(H,51,52);;;;/q;4*+1/p-4/b24-12-,25-13-,26-12-,27-14-,28-13-,29-14-,35-23-,36-23-;;;;/t18-,22-,30-;;;;/m0..../s1 > KPALSRNVSRWOPA-YJFNSWLASA-J > C38H37N5Na4O9 > 799.699 > 799.21820491 > 11 > 93 > 73.91063417398951 > 0 > 3 > 0 > 0 > tetrasodium (2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioate > 4.20 > 2.5828587899662674 > -4.69 > 1 > 5 > -4 > 3.332153367315824 > 2.787935664320652 > 5.4505975558708615 > 246.98 > 232.5825000000001 > 12 > 0 > 1.63e-02 g/l > tetrasodium (2S)-2-{2-[(4S,5S)-20-carboxy-4-(2-carboxyethyl)-10-ethenyl-15-ethyl-5,9,14,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),6,8,10,12,14,16(22),17,19-decaen-2-yl]acetamido}butanedioate > 0 > DBSALT002082 > Talaporfin Sodium > DB11812 > Talaporfin > 220201-34-3 > L63605PZ70 $$$$