Bronchodilators [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
dametralast 71680-63-2 C6H8N6 164.17
1.16
theophylline 58-55-9 C7H8N4O2 180.17
-0.04
enprofylline 41078-02-8 C8H10N4O2 194.19
-0.75
racepinefrine 329-65-7 C9H13NO3 183.21
1.31
dyphylline; diprophylline 479-18-5 C10H14N4O4 254.25
-0.15
doxofylline 69975-86-6 C11H14N4O4 266.26
-0.13
zindotrine 56383-05-2 C11H15N5 217.28
1.81
clorprenaline 3811-25-4 C11H16ClNO 213.71
1.55
isospaglumic acid 3106-85-2 C11H16N2O8 304.25
-1.64
isbufylline 90162-60-0 C11H16N4O2 236.27
-0.10
dioxethedrin 497-75-6 C11H17NO3 211.26
1.23
isoproterenol; arterenol-isopropyl; Isolin 7683-59-2 C11H17NO3 211.26
1.23
metaproterenol 586-06-1 C11H17NO3 211.26
0.90
isoproterenol hydrochloride 51-30-9 C11H18ClNO3 268.14
-2.11
zardaverine 101975-10-4 C12H10F2N2O3 268.22
1.11
quazodine 4015-32-1 C12H14N2O2 218.26
0.77
taloximine 17243-68-4 C12H16N4O2 248.29
1.27
tolubuterol 41570-61-0 C12H18ClNO 227.73
2.70
clenbuterol 37148-27-9 C12H18Cl2N2O 277.19
2.28
verofylline 66172-75-6 C12H18N4O2 250.30
-0.13
amiterol 54063-25-1 C12H20N2O 208.30
1.90
pirbuterol 38677-81-5 C12H20N2O3 240.30
1.24
choline theophyllinate 4499-40-5 C12H21N5O3 283.33
1.35
tibenelast 97852-72-7 C13H14O4S 266.31
2.26
mabuterol 56341-08-3 C13H18ClF3N2O 310.75
2.50
albifylline 107767-55-5 C13H20N4O3 280.33
-0.14
albuterol 18559-94-9 C13H21NO3 239.31
2.00
isoetharine 530-08-5 C13H21NO3 239.31
0.92
carbuterol 34866-47-2 C13H21N3O3 267.33
1.26
arofylline; LAS-31025 136145-07-8 C14H13ClN4O2 304.74
-0.17
andolast 132640-22-3 C15H11N9O 333.31
2.91
tiaramide 32527-55-2 C15H18ClN3O3S 355.84
2.96
fenspiride 5053-06-5 C15H20N2O2 260.34
2.60
procaterol 72332-33-3 C16H22N2O3 290.36
1.66
procaterol hydrochloride 59828-07-8 C16H23ClN2O3 326.82
1.86
aminophylline 317-34-0 C16H24N10O4 420.43
-0.17
bimakalim 117545-11-6 C17H14N2O2 278.31
1.41
bufrolin 54867-56-0 C18H16N2O6 356.33
1.19
azanator 37855-92-8 C18H18N2O 278.35
3.18
reproterol 54063-54-6 C18H23N5O5 389.41
-0.21
bambuterol 81732-65-2 C18H29N3O5 367.45
4.60
pimethixene 314-03-4 C19H19NS 293.43
4.45
darodipine 72803-02-2 C19H21N3O5 371.39
2.20
tiotropium [chloride] 186691-13-4 C19H22ClNO4S2 427.97
2.24
espatropate 132829-83-5 C19H23N3O3 341.41
0.83
trimetoquinol hydrochloride [H2O] 18559-59-6 C19H24ClNO5 381.86
-0.43
aformoterol 67346-49-0 C19H24N2O4 344.41
2.95
salmefamol 18910-65-1 C19H25NO4 331.41
3.75
bamifylline 2016-63-9 C20H27N5O3 385.47
-0.11
oxarbazole 35578-20-2 C21H19NO4 349.39
4.27
rilmakalim 132014-21-2 C21H23NO5S 401.48
2.71
carmoterol 147568-66-9 C21H24N2O4 368.43
3.06
mequitamium iodide 101396-42-3 C21H25IN2S 464.41
4.35
decloxizine 3733-63-9 C21H28N2O2 340.47
3.36
doxaprost 51953-95-8 C21H36O4 352.51
7.45
eprozinol 32665-36-4 C22H30N2O2 354.49
3.84
hexoprenaline sulfate 3215-70-1 C22H34N2O10S 518.58
2.46
nileprost 71097-83-1 C22H33NO5 391.51
7.10
metaproterenol sulfate 5874-97-5 C22H36N2O10S 520.60
1.34
indacaterol 312753-06-3 C24H28N2O3 392.50
3.73
pipoxizine 55837-21-3 C24H31NO3 381.52
3.68
butaprost 69648-38-0 C24H40O5 408.58
8.70
milveterol 652990-07-3 C25H29N3O4 435.52
3.26
salmeterol 89365-50-4 C25H37NO4 415.57
4.23
bitolterol 30392-40-6 C28H31NO5 461.56
3.27
salmeterol xinafoate 94749-08-3 C46H61NO10 787.99
3.12
carperitide 89213-87-6 C127H203N45O39S3 3080.49
-1.70


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