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
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
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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