Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C19H18ClNOS.C6H8O7 |
| Molecular Weight | 535.994 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
| Stereo Comments | Assumed racemic |
SHOW SMILES / InChI
SMILES
OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1CCC(CC1)=C2C3=CC=CC=C3[S+]([O-])C4=C2C=CC(Cl)=C4
InChI
InChIKey=OTOXNEBSBMVQHG-UHFFFAOYSA-N
InChI=1S/C19H18ClNOS.C6H8O7/c1-21-10-8-13(9-11-21)19-15-4-2-3-5-17(15)23(22)18-12-14(20)6-7-16(18)19;7-3(8)1-6(13,5(11)12)2-4(9)10/h2-7,12H,8-11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C19H18ClNOS |
| Molecular Weight | 343.87 |
| Charge | 0 |
| 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
Mon Mar 31 17:50:35 GMT 2025
by
admin
on
Mon Mar 31 17:50:35 GMT 2025
|
| Record UNII |
ZDE79E4NJU
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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23239-84-1
Created by
admin on Mon Mar 31 17:50:35 GMT 2025 , Edited by admin on Mon Mar 31 17:50:35 GMT 2025
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137321719
Created by
admin on Mon Mar 31 17:50:35 GMT 2025 , Edited by admin on Mon Mar 31 17:50:35 GMT 2025
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PRIMARY | |||
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ZDE79E4NJU
Created by
admin on Mon Mar 31 17:50:35 GMT 2025 , Edited by admin on Mon Mar 31 17:50:35 GMT 2025
|
PRIMARY |
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PARENT -> SALT/SOLVATE |
