Details
Stereochemistry | RACEMIC |
Molecular Formula | C12H17NO.ClH |
Molecular Weight | 227.73 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.CNC(C)C(=O)C1=C(C)C=C(C)C=C1
InChI
InChIKey=BPRSXBIUAIICOM-UHFFFAOYSA-N
InChI=1S/C12H17NO.ClH/c1-8-5-6-11(9(2)7-8)12(14)10(3)13-4;/h5-7,10,13H,1-4H3;1H
Molecular Formula | C12H17NO |
Molecular Weight | 191.2695 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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: P35348|||B0ZBD9|||Q6RUJ8 Gene ID: 148.0 Gene Symbol: ADRA1A Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28755886 |
0.16 µM [Ki] | ||
Target ID: P28223 Gene ID: 3356.0 Gene Symbol: HTR2A Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28755886 |
1.3 µM [Ki] | ||
Target ID: P28335 Gene ID: 3358.0 Gene Symbol: HTR2C Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/28755886 |
1.3 µM [Ki] |
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:30:13 GMT 2023
by
admin
on
Sat Dec 16 10:30:13 GMT 2023
|
Record UNII |
W85E406B3B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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137699747
Created by
admin on Sat Dec 16 10:30:13 GMT 2023 , Edited by admin on Sat Dec 16 10:30:13 GMT 2023
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PRIMARY | |||
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W85E406B3B
Created by
admin on Sat Dec 16 10:30:13 GMT 2023 , Edited by admin on Sat Dec 16 10:30:13 GMT 2023
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PRIMARY |
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ACTIVE MOIETY |