Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H17NO2.ClH |
| Molecular Weight | 291.773 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC1=CC2=C(C=C1O)[C@H](CNCC2)C3=CC=CC=C3
InChI
InChIKey=YEWHJCLOUYPAOH-PFEQFJNWSA-N
InChI=1S/C16H17NO2.ClH/c18-15-8-12-6-7-17-10-14(13(12)9-16(15)19)11-4-2-1-3-5-11;/h1-5,8-9,14,17-19H,6-7,10H2;1H/t14-;/m1./s1
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| 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 |
|---|---|---|---|
| 130.0 nM [EC50] | |||
Target ID: CHEMBL1850 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1826762 |
100.0 nM [Ki] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Tue Apr 01 22:42:05 GMT 2025
by
admin
on
Tue Apr 01 22:42:05 GMT 2025
|
| Record UNII |
259QB42AEB
|
| Record Status |
Validated (UNII)
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| Record Version |
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Code | English | ||
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Preferred Name | English | ||
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1000004-68-1
Created by
admin on Tue Apr 01 22:42:05 GMT 2025 , Edited by admin on Tue Apr 01 22:42:05 GMT 2025
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NON-SPECIFIC STEREOCHEMISTRY | |||
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6852375
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admin on Tue Apr 01 22:42:05 GMT 2025 , Edited by admin on Tue Apr 01 22:42:05 GMT 2025
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PRIMARY | |||
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DTXSID20425872
Created by
admin on Tue Apr 01 22:42:05 GMT 2025 , Edited by admin on Tue Apr 01 22:42:05 GMT 2025
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PRIMARY | |||
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81702-42-3
Created by
admin on Tue Apr 01 22:42:05 GMT 2025 , Edited by admin on Tue Apr 01 22:42:05 GMT 2025
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259QB42AEB
Created by
admin on Tue Apr 01 22:42:05 GMT 2025 , Edited by admin on Tue Apr 01 22:42:05 GMT 2025
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PRIMARY |
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