Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.4226 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=C(OCCN1CCOCC1)C2(CCCCC2)C3=CC=CC=C3
InChI
InChIKey=RQHKZUBCUZVZEF-UHFFFAOYSA-N
InChI=1S/C19H27NO3/c21-18(23-16-13-20-11-14-22-15-12-20)19(9-5-2-6-10-19)17-7-3-1-4-8-17/h1,3-4,7-8H,2,5-6,9-16H2
| Molecular Formula | C19H27NO3 |
| Molecular Weight | 317.4226 |
| 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: Q60492 Gene ID: 1.00135592E8 Gene Symbol: SIGMAR1 Target Organism: Cavia porcellus (Guinea pig) Sources: https://www.ncbi.nlm.nih.gov/pubmed/14691051 |
9.0 nM [Ki] | ||
Target ID: 1.00732584E8 Gene Symbol: Drd2 Sources: https://www.ncbi.nlm.nih.gov/pubmed/1658302 |
557.0 µM [IC50] | ||
Target ID: Muscarinic acetylcholine receptor (Cavia porcellus) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1658302 |
13.95 µM [IC50] | ||
Target ID: Serotonin 2 (5-HT2) receptor (Cavia porcellus) Sources: https://www.ncbi.nlm.nih.gov/pubmed/1658302 |
18.75 µM [IC50] |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Wed Apr 02 07:08:07 GMT 2025
by
admin
on
Wed Apr 02 07:08:07 GMT 2025
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| Record UNII |
74BW8WG2MQ
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| Record Status |
Validated (UNII)
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| Record Version |
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DTXSID40160819
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74BW8WG2MQ
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PRE-084
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126402
Created by
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|---|---|---|---|---|
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SALT/SOLVATE -> PARENT |
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