Histamine antagonists

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

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

NAME CAS FORMULA MWTerraQSAR - LOGP
zaltidine 85604-00-8 C8H10N6S 222.27
0.58
acitazanolast 114607-46-4 C9H7N5O3 233.19
-0.32
metiamide 34839-70-8 C9H16N4S2 244.38
1.44
tuvatidine 91257-14-6 C10H17N9O2S3 391.50
-0.18
tetrazolast 95104-27-1 C10H6N8 238.21
0.47
isospaglumic acid 3106-85-2 C11H16N2O8 304.25
-1.64
tiacrilast 78299-53-3 C12H10N2O3S 262.29
1.94
eclazolast 80263-73-6 C12H12ClNO4 269.68
1.99
tiprinast 83153-39-3 C12H14N2O3S 266.32
1.56
quazolast 86048-40-0 C12H7ClN2O3 262.65
1.39
asobamast 104777-03-9 C13H15N3O5S 325.34
1.49
tazanolast 82989-25-1 C13H15N5O3 289.29
0.25
mifentidine 83184-43-4 C13H16N4 228.30
1.50
rocastine 91833-77-1 C13H19N3OS 265.38
1.02
tioxamast 74531-88-7 C14H14N2O4S 306.34
2.10
ebrotidine 100981-43-9 C14H17BrN6O2S3 477.43
-0.37
tixanox 40691-50-7 C15H10O5S 302.30
2.84
acreozast 123548-56-1 C15H14ClN3O6 367.74
3.56
zolamine 553-13-9 C15H21N3OS 291.42
2.82
epinastine 80012-43-7 C16H15N3 249.32
2.98
fenethazine 522-24-7 C16H18N2S 270.40
4.59
dexbrompheniramine 132-21-8 C16H19BrN2 319.25
3.37
dexchlorpheniramine 25523-97-1 C16H19ClN2 274.79
3.38
rotoxamine 5560-77-0 C16H19ClN2O 290.79
3.37
noberastine 110588-56-2 C16H19N5O 297.36
2.54
ramixotidine 84071-15-8 C16H21N3O3S 335.43
1.85
ambicromil 58805-38-2 C17H12O8 344.27
1.07
proxicromil 60400-92-2 C17H18O5 302.33
1.86
Mirtazapine 61337-67-5 C17H19N3 265.36
3.27
bromazine 118-23-0 C17H20BrNO 334.26
3.32
phenyltoloxamine 92-12-6 C17H21NO 255.36
3.27
emedastine 87233-61-2 C17H26N4O 302.42
2.34
minocromil 85118-44-1 C18H16N2O6 356.33
1.51
bufrolin 54867-56-0 C18H16N2O6 356.33
1.19
tranilast 53902-12-8 C18H17NO5 327.34
3.27
pirodomast 108310-20-9 C18H17N3O2 307.35
3.19
parathiazine 84-08-2 C18H20N2S 296.44
4.59
methdilazine 1982-37-2 C18H20N2S 296.44
4.62
embramine 3565-72-8 C18H22BrNO 348.29
3.74
terbucromil 37456-21-6 C18H22O4 302.37
5.08
venritidine 93064-63-2 C18H26N4O3S 378.49
0.84
lamtidine 73278-54-3 C18H28N6O 344.46
2.95
dalcotidine 120958-90-9 C18H29N3O2 319.45
2.03
desloratadine 100643-71-8 C19H19ClN2 310.83
3.23
pimethixene 314-03-4 C19H19NS 293.43
4.45
tecastemizole 75970-99-9 C19H21FN4 324.40
5.02
talastine 16188-61-7 C19H21N3O 307.40
1.70
homochlorcyclizine 848-53-3 C19H23ClN2 314.86
3.53
histapyrrodine 493-80-1 C19H24N2 280.41
4.80
pibutidine 103922-33-4 C19H24N4O3 356.43
0.90
etoloxamine 1157-87-5 C19H25NO 283.41
3.28
dimetotiazine 7456-24-8 C19H25N3O2S2 391.56
4.70
osutidine [both enantiomers] 140695-21-2 C19H28N4O5S2 456.58
0.77
batebulast 81907-78-0 C19H29N3O2 331.46
3.31
lavoltidine 76956-02-0 C19H29N5O2 359.47
3.29
quifenadine 10447-39-9 C20H23NO 293.41
3.78
donetidine 99248-32-5 C20H25N5O3S 415.52
1.14
niperotidine 84845-75-0 C20H28N4O5S 436.53
2.39
sufotidine 80343-63-1 C20H31N5O3S 421.56
1.77
olopatadine 113806-05-6 C21H23NO3 337.42
4.33
temelastine 86181-42-2 C21H24BrN5O 442.37
2.40
efletirizine 150756-35-7 C21H24F2N2O3 390.43
3.26
bepotastine 125602-71-3 C21H25ClN2O3 388.89
3.22
levocetirizine 130018-77-8 C21H25ClN2O3 388.89
3.26
mequitamium iodide 101396-42-3 C21H25IN2S 464.41
4.35
tropirine 19410-02-7 C22H24N2O 332.45
3.42
azelastine hydrochloride 79307-93-0 C22H25Cl2N3O 418.37
2.47
sequifenadine 57734-69-7 C22H27NO 321.46
3.97
lafutidine 118288-08-7 C22H29N3O4S 431.55
2.55
eprozinol 32665-36-4 C22H30N2O2 354.49
3.84
octastine 59767-12-3 C23H30ClNO 371.95
4.03
tazifylline 79712-55-3 C23H32N6O3S 472.61
0.59
suplatast tosilate 94055-76-2 C23H33NO7S2 499.64
2.98
mapinastine 140945-32-0 C23H34N6O 410.57
1.92
butanserin 87051-46-5 C24H26FN3O3 423.49
3.51
rupatadine 158876-82-5 C26H26ClN3 415.97
4.15
elbanizine 110629-41-9 C26H31N5O2 445.57
3.63
revenast 85673-87-6 C27H29N5O 439.56
3.44
barmastine 99156-66-8 C27H29N7O2 483.58
2.83
alinastine 154541-72-7 C28H39N3O 433.64
4.39
seganserin 87729-89-3 C29H27F2N3O 471.55
4.76
flezelastine 135381-77-0 C29H32FN3O 457.59
3.85
tagorizine 118420-47-6 C30H36N4O 468.64
5.73
scopinast 145574-90-9 C31H31F2NO5 535.59
3.12
carebastine 90729-42-3 C32H37NO4 499.65
5.03
cromoglicate lisetil 110816-79-0 C33H36N2O12 652.65
2.42
lupitidine 83903-06-4 C34H43N7O2S 613.83
1.03


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Copyright © 2004 by TerraBase Inc.