chloralose

Identification (Source:EPA,EU)

ID 333
Name chloralose
CAS 15879-93-3
IUPAC
Inchi InChI=1S/C8H11Cl3O6/c9-8(10,11)7-16-5-3(14)4(2(13)1-12)15-6(5)17-7/h2-7,12-14H,1H2/t2-,3+,4-,5-,6-,7-/m1/s1
CIPAC 249
EPA Code 476200
Formula C8H11Cl3O6
SMILES C(C([C@@H]1[C@@H]([C@@H]2C(O1)O[C@@H](O2)C(Cl)(Cl)Cl)O)O)O
Status Not Approved

Classification

Mode of Action Soporific
Pesticide Type Rodenticide, Avicide, Repellent
Chemical Group Chlorinated acetal derivative of glucose
Classification Bird repellents
unclassified rodenticides
Avicides

Properties (Source:PubChem)

Molecular Weight 309.54
Physical State Crystalline powder
AlogP -0.081
H-Bond Donor 3
H-Bond Acceptor 6
Surface Area 258.18
Polar Surface Area 88.38

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Birds Acute LD50 31.6 mg kg-1
Mammals Acute oral LD50 400 mg kg-1

Related targets

Target Name RScore (About this table)
angiotensin II 600(4,8,13,135) Details
NMDA receptors (protein family or complex) 620(3,11,13,130) Details
beta adrenergic receptor (protein family or complex) 552(3,11,13,62) Details
glycine receptor (protein family or complex) 247(3,3,3,7) Details
serotonin 1A receptor 473(2,10,10,73) Details
nNOS 209(2,3,3,19) Details
ACPD 207(2,3,5,7) Details
alpha1 adrenoceptors (protein family or complex) 221(1,4,6,41) Details
5 HT3 receptor 161(1,3,3,21) Details
carbonic anhydrase 156(1,3,3,16) Details
A2a 126(1,2,2,16) Details
Mu opioid receptor 95(1,1,1,15) Details
NK1 91(1,1,1,11) Details
GAD67 91(1,1,1,11) Details
GABA transaminase 90(1,1,1,10) Details
nociceptin receptor 88(1,1,1,8) Details
Endothelin B receptors 87(1,1,1,7) Details
CA3 84(1,1,1,4) Details
immunoglobulin (protein family or complex) 83(1,1,1,3) Details
INDO 81(1,1,1,1) Details
NK 2 receptor 81(1,1,1,1) Details
MC3 81(1,1,1,1) Details
Substance P 256(0,5,9,86) Details
5 HT2 182(0,5,5,32) Details
bradykinin 240(0,4,9,95) Details
c fos 163(0,3,7,53) Details
glutamate receptor 109(0,3,3,19) Details
glutamate receptors (protein family or complex) 109(0,3,3,19) Details
alpha 1 adrenergic receptor 107(0,3,4,12) Details
alpha 2 adrenergic 105(0,3,3,15) Details
muscles 371(0,2,29,176) Details
neuropeptide Y 139(0,2,10,39) Details
CGRP 131(0,2,4,61) Details
hemoglobin (protein family or complex) 91(0,2,3,26) Details
somatostatin 85(0,2,3,20) Details
Nociceptin 78(0,2,2,18) Details
leptin 59(0,1,1,29) Details
IBAT 59(0,1,4,14) Details
glucagon 56(0,1,2,21) Details
AT1 55(0,1,1,25) Details
5 HT 1B 53(0,1,1,23) Details
semicarbazide sensitive amine oxidase 46(0,1,1,16) Details
adenosine A1 receptors 42(0,1,1,12) Details
tyrosine hydroxylase 41(0,1,2,6) Details
diaphorase 40(0,1,1,10) Details
arginine vasopressin 37(0,1,2,2) Details
galanin 37(0,1,1,7) Details
5 HT2B 36(0,1,1,6) Details
protein kinase C (protein family or complex) 36(0,1,1,6) Details
NK 1 receptor 35(0,1,1,5) Details
cholinesterase 34(0,1,1,4) Details
NK receptors 32(0,1,1,2) Details
cyclooxygenase 2 32(0,1,1,2) Details
dopamine D2 receptor 32(0,1,1,2) Details
Glucose dependent insulinotropic polypeptide 32(0,1,1,2) Details
ACPA 31(0,1,1,1) Details
myeloperoxidase 31(0,1,1,1) Details
cytochrome P450 epoxygenase 31(0,1,1,1) Details
IL 1beta 65(0,0,6,35) Details
beta endorphin 32(0,0,3,17) Details
endothelin 1 32(0,0,1,27) Details
albumin 30(0,0,3,15) Details
corticotropin releasing factor 29(0,0,3,14) Details
calcium channel (protein family or complex) 29(0,0,3,14) Details
PACAP 27(0,0,2,17) Details
MCFP 26(0,0,1,21) Details
Atrial natriuretic peptide 25(0,0,2,15) Details
enkephalin 25(0,0,2,15) Details
orexin 22(0,0,1,17) Details
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