Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H19ClN2OS.C4H4O4 |
| Molecular Weight | 474.957 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CN1CCN(CC1)C2C3=C(SC4=C(C=CC=C4)C2=O)C=CC(Cl)=C3
InChI
InChIKey=DBWCOVAYARBIPD-WLHGVMLRSA-N
InChI=1S/C19H19ClN2OS.C4H4O4/c1-21-8-10-22(11-9-21)18-15-12-13(20)6-7-17(15)24-16-5-3-2-4-14(16)19(18)23;5-3(6)1-2-4(7)8/h2-7,12,18H,8-11H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C19H19ClN2OS |
| Molecular Weight | 358.885 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | C4H4O4 |
| Molecular Weight | 116.0722 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:26:10 GMT 2023
by
admin
on
Fri Dec 15 15:26:10 GMT 2023
|
| Record UNII |
OZ7C5KSS3I
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Code System | Code | Type | Description | ||
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23240-04-2
Created by
admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
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OZ7C5KSS3I
Created by
admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
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PRIMARY | |||
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131801047
Created by
admin on Fri Dec 15 15:26:10 GMT 2023 , Edited by admin on Fri Dec 15 15:26:10 GMT 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
