Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H12BrNO2.ClH |
Molecular Weight | 330.605 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.C[C@@H](N)CC1=C2C=COC2=C(Br)C3=C1OC=C3
InChI
InChIKey=YDIDKNSMQNPNFC-OGFXRTJISA-N
InChI=1S/C13H12BrNO2.ClH/c1-7(15)6-10-8-2-4-17-13(8)11(14)9-3-5-16-12(9)10;/h2-5,7H,6,15H2,1H3;1H/t7-;/m1./s1
Molecular Formula | C13H12BrNO2 |
Molecular Weight | 294.144 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Targets
Primary Target | Pharmacology | Condition | Potency |
---|---|---|---|
Target ID: P28223 Gene ID: 3356.0 Gene Symbol: HTR2A Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9857084 |
0.04 nM [Ki] | ||
Target ID: P41595 Gene ID: 3357.0 Gene Symbol: HTR2B Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9857084 |
0.19 nM [Ki] | ||
Target ID: P28335 Gene ID: 3358.0 Gene Symbol: HTR2C Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/9857084 |
0.02 nM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:13:25 GMT 2023
by
admin
on
Sat Dec 16 10:13:25 GMT 2023
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Record UNII |
D627OB41D9
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Record Status |
Validated (UNII)
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Record Version |
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-
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