Vasoconstrictors [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
octopamine 104-14-3 C7H9NO2 139.15
1.40
metaraminol 54-49-9 C9H13NO2 167.21
1.78
phenylephrine 59-42-7 C9H13NO2 167.21
1.57
corbadrine 829-74-3 C9H13NO3 183.21
-1.06
nordefrin 6539-57-7 C9H13NO3 183.21
-1.09
azepexole 36067-73-9 C9H15N3O 181.24
1.07
nemazoline 130759-56-7 C10H11Cl2N3 244.12
2.35
etilefrine 709-55-7 C10H15NO2 181.23
1.88
tinazoline 62882-99-9 C11H11N3S 217.29
2.14
mephentermine 100-92-5 C11H17N 163.26
2.47
dimetofrine 22950-29-4 C11H17NO4 227.26
1.23
amidefrine mesilate 1421-68-7 C11H20N2O6S2 340.42
0.26
indanazoline 40507-78-6 C12H15N3 201.27
2.43
taloximine 17243-68-4 C12H16N4O2 248.29
1.27
midodrine 42794-76-3 C12H18N2O4 254.29
0.27
tefazoline 1082-56-0 C14H19N2 215.32
2.95
pirsidomine 132722-74-8 C17H22N4O3 330.39
1.40
naratriptan 121679-13-8 C17H25N3O2S 335.47
0.47
nafronyl 31329-57-4 C24H33NO3 383.53
3.24
halobetasol propionate 66852-54-8 C25H31ClF2O5 484.97
3.01
cinnarizine 298-57-7 C26H28N2 368.52
5.77
ergotamine 113-15-5 C33H35N5O5 581.67
-1.19
troxerutin 7085-55-4 C33H42O19 742.68
-3.43
ornipressin 3397-23-7 C45H63N13O12S2 1042.21
2.15
felypressin 56-59-7 C46H65N13O11S2 1040.23
2.15
octreotide 83150-76-9 C49H66N10O10S2 1019.26
-0.99
angiotensinamide 53-73-6 C49H70N14O11 1031.19
2.16


These data provided free by TerraBase Inc.

Copyright © 2004-2017 TerraBase Inc.