Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C14H18ClN3S.C4H4O4 |
| Molecular Weight | 411.903 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.CN(C)CCN(CC1=CC=C(Cl)S1)C2=CC=CC=N2
InChI
InChIKey=FLADJTVUJJAXLB-BTJKTKAUSA-N
InChI=1S/C14H18ClN3S.C4H4O4/c1-17(2)9-10-18(14-5-3-4-8-16-14)11-12-6-7-13(15)19-12;5-3(6)1-2-4(7)8/h3-8H,9-11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1-
| Molecular Formula | C14H18ClN3S |
| Molecular Weight | 295.831 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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
Sat Dec 16 01:38:13 UTC 2023
by
admin
on
Sat Dec 16 01:38:13 UTC 2023
|
| Record UNII |
65L0ZZ5ZA8
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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65L0ZZ5ZA8
Created by
admin on Sat Dec 16 01:38:13 UTC 2023 , Edited by admin on Sat Dec 16 01:38:13 UTC 2023
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76958201
Created by
admin on Sat Dec 16 01:38:13 UTC 2023 , Edited by admin on Sat Dec 16 01:38:13 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
