Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C21H22NO4.Cl.3H2O |
| Molecular Weight | 441.903 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Cl-].COC1=CC2=C(C=C1OC)C3=[N+](CC2)C=C4C(C=CC(OC)=C4OC)=C3
InChI
InChIKey=WLDIKCHILJVGTJ-UHFFFAOYSA-M
InChI=1S/C21H22NO4.ClH.3H2O/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4;;;;/h5-6,9-12H,7-8H2,1-4H3;1H;3*1H2/q+1;;;;/p-1
| 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 | Cl |
| Molecular Weight | 35.453 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C21H22NO4 |
| Molecular Weight | 352.4037 |
| Charge | 1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 09:30:20 UTC 2023
by
admin
on
Sat Dec 16 09:30:20 UTC 2023
|
| Record UNII |
UQJ52903L7
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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Systematic Name | English |
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6153-71-5
Created by
admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
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PRIMARY | |||
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m8365
Created by
admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
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PRIMARY | Merck Index | ||
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UQJ52903L7
Created by
admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
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PRIMARY | |||
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57378374
Created by
admin on Sat Dec 16 09:30:20 UTC 2023 , Edited by admin on Sat Dec 16 09:30:20 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |
