Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C20H23NO4.ClH.H2O |
| Molecular Weight | 395.877 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.COC1=CC2=C3C(CC4=C(C(OC)=C(OC)C=C4)C3=C1O)N(C)CC2
InChI
InChIKey=PZMFUNXOHCZVGY-UHFFFAOYSA-N
InChI=1S/C20H23NO4.ClH.H2O/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18;;/h5-6,10,13,22H,7-9H2,1-4H3;1H;1H2
| Molecular Formula | H2O |
| Molecular Weight | 18.0153 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.4009 |
| 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: P06276 Gene ID: 590.0 Gene Symbol: BCHE Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/17574358 |
52.0 µM [IC50] | ||
Target ID: P08684 Gene ID: 1576.0 Gene Symbol: CYP3A4 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/20851588 |
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 22:01:12 GMT 2025
by
admin
on
Mon Mar 31 22:01:12 GMT 2025
|
| Record UNII |
Y08BO3NW2T
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Y08BO3NW2T
Created by
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139033198
Created by
admin on Mon Mar 31 22:01:12 GMT 2025 , Edited by admin on Mon Mar 31 22:01:12 GMT 2025
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m3803
Created by
admin on Mon Mar 31 22:01:12 GMT 2025 , Edited by admin on Mon Mar 31 22:01:12 GMT 2025
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PRIMARY | Merck Index |