Muscle relaxants [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,


NAME CAS FORMULA MWTerraQSAR - LOGP
zoxazolamine 61-80-3 C7H5ClN2O 168.58
1.63
tizanidine 51322-75-9 C9H8ClN5S 253.71
2.70
chlorphenesin 104-29-0 C9H11ClO3 202.64
1.21
chlorphenesin carbamate 886-74-8 C10H12ClNO4 245.66
0.66
phenprobamate 673-31-4 C10H13NO2 179.22
1.83
debrisoquin; metubine 1131-64-2 C10H13N3 175.23
2.42
chlormezanone 80-77-3 C11H12ClNO3S 273.75
-0.67
idrocilamide 6961-46-2 C11H13NO2 191.23
2.54
mephenoxalone 70-07-5 C11H13NO4 223.23
1.35
metaxalone 1665-48-1 C12H15NO3 221.26
1.95
lorbamate 24353-88-6 C12H22N2O4 258.32
0.89
azumolene 64748-79-4 C13H9BrN4O3 349.15
1.87
clodanolene 14796-28-2 C14H9Cl2N3O3 338.15
4.81
dantrolene 7261-97-4 C14H11N4O5 315.26
-0.46
bendazol 621-72-7 C14H12N2 208.26
1.59
rolodine 1866-43-9 C14H14N4 238.29
2.65
xilobam 50528-97-7 C14H19N3O 245.33
1.99
ambenoxan 2455-84-7 C14H21NO4 267.32
2.00
succinylcholine dichloride 71-27-2 C14H30Cl2N2O4 361.31
-2.14
lanperisone 116287-14-0 C15H18F3NO 285.31
2.83
silperisone 140944-31-6 C15H24FNSi 265.45
4.65
afloqualone 56287-74-2 C16H14FN3O 283.31
2.50
medazepam 2898-12-6 C16H15ClN2 270.76
4.23
deutolperisone [both enantiomers] 474641-19-5 C16H16D6NO 250.39
2.31
inaperisone 99323-21-4 C16H23NO 245.37
3.29
tolperisone 728-88-1 C16H23NO 245.37
3.36
aminophylline 317-34-0 C16H24N10O4 420.43
-0.17
fletazepam 34482-99-0 C17H13ClF4N2 356.75
3.63
proxazole 5696-09-3 C17H25N3O 287.41
2.47
benzoctamine 17243-39-9 C18H19N 249.36
2.07
nelezaprine 69624-60-8 C18H21ClN2 300.83
2.82
cinnamedrine 90-86-8 C19H23NO 281.40
4.22
phencarbamide 3735-90-8 C19H24N2OS 328.48
3.55
fenalamide 4551-59-1 C19H30N2O3 334.46
1.12
cyclobenzaprine 303-53-7 C20H21N 275.39
4.92
thiphenamil 82-99-5 C20H25NOS 327.49
3.62
rilmakalim 132014-21-2 C21H23NO5S 401.48
2.71
ipenoxazone 104454-71-9 C22H34N2O2 358.53
3.21
flavoxate hydrochloride 3717-88-2 C24H26ClNO4 427.93
3.68
dicetel; pinaverium bromide 53251-94-8 C26H41Br2NO4 591.43
4.52
hexamethonium bromide; CAS also 55-97-0 317-52-2 C36H42Br2N2 662.56
6.01
(+)-tubocurarine hydrochloride [pentahydrate] 57-94-3 C37H42Cl2N2O6 771.73
5.05
quinetalate 5714-76-1 C38H57N5O7 695.90
1.07
dimethyltubocurarine iodide 7601-55-0 C40H48I2N2O6 906.64
5.67
alcuronium chloride 15180-03-7 C44H50Cl2N4O2 737.82
1.44
mivacurium chloride 106861-44-3 C58H80Cl2N2O14 1100.18
3.74


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