Cardiotonic compounds [selection]

TerraQSAR-LOGPTM computed octanol/water partition coefficients (CLOGPs).


For other toxicity and effect values, such as mammalian (rat/mouse) intravenous LD50, mammalian (rat/mouse) oral LD50,
Daphnia magna 48-hr LC50, fish (fathead minnow) 96-hr LC50, estrogen receptor binding affinity (RBA), skin irritation potential,
use TerraQSAR-RMIV, TerraQSAR-OMAR, TerraQSAR-Daphnia, TerraQSAR-FHM, TerraQSAR-E2-RBA, or TerraQSAR-SKIN programs,
or consult TerraBase Inc.


NAME CAS FORMULA MWTerraQSAR - LOGP
xanthine, 1,3-dimethyl; theophylline 58-55-9 C7H8N4O2 180.17
-0.04
dopamine 51-61-6 C8H11NO2 153.18
1.13
heptaminol 372-66-7 C8H19NO 145.25
2.36
phenylephrine 59-42-7 C9H13NO2 167.21
1.57
quazinone 70018-51-8 C11H10ClN3O 235.67
3.46
piroximone 84490-12-0 C11H11N3O2 217.23
0.74
bemarinone 92210-43-0 C11H12N2O3 220.23
1.22
enoximone 77671-31-9 C12H12N2O2S 248.30
3.22
quazodine 4015-32-1 C12H14N2O2 218.26
0.77
prenalterol 57526-81-5 C12H19NO3 225.29
2.18
pirbuterol 38677-81-5 C12H20N2O3 240.30
1.24
imazodan 84243-58-3 C13H12N4O 240.27
1.51
prinoxodan 111786-07-3 C13H14N4O2 258.28
1.64
simendan 131741-08-7 C14H12N6O 280.29
1.93
sulmazole 73384-60-8 C14H13N3O2S 287.34
1.22
nanterinone 102791-47-9 C15H15N3O 253.30
2.23
adibendan 100510-33-6 C16H14N4O 278.31
2.39
aminophylline 317-34-0 C16H24N10O4 420.43
-0.17
bimakalim 117545-11-6 C17H14N2O2 278.31
1.41
ibopamine; 4-[2-(methylamino)ethyl]-1,2-phenylene bis(2-methylpropanoate) 66195-31-1 C17H25NO4 307.39
2.42
denopamine 71771-90-9 C18H23NO4 317.38
3.06
carbazeran 70724-25-3 C18H24N4O4 360.41
1.14
oxyfedrine 15687-41-9 C19H23NO3 313.40
4.62
tedisamil 90961-53-8 C19H32N2 288.48
1.91
arpromidine 106669-71-0 C21H25FN6 380.47
0.80
xamoterol, (+/-) 81801-12-9 C21H31N3O8 453.49
1.64
bufogenin 465-39-4 C24H32O4 384.52
2.98
doxaminol 55286-56-1 C26H29NO3 403.52
4.01
revizinone 133718-29-3 C26H29N5O3 459.55
1.88
zatebradine 85175-67-3 C26H36N2O5 456.58
3.18
saterinone 102669-89-6 C27H30N4O4 474.56
2.90
ivabradine 155974-00-8 C27H36N2O5 468.59
3.28
acrihellin 67696-82-6 C29H38O7 498.62
2.54
ramnodigin 33156-28-4 C29H44O6 488.66
2.64
actodigin 36983-69-4 C29H44O9 536.66
2.54
draflazine 120770-34-5 C30H33Cl2F2N5O2 604.53
3.31
proscillaridin 466-06-8 C30H42O8 530.66
1.89
metildigoxin 30685-43-9 C42H66O14 794.98
1.26
deslanoside 17598-65-1 C47H74O19 943.09
3.85
lanatoside A 17575-20-1 C49H76O19 969.13
1.26
lanatoside D 11030-31-2 C49H76O21 1001.13
1.26


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