Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C20H23ClN2O5.C4H4O4 |
| Molecular Weight | 522.932 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CCOC(=O)C1=C(C2=CC=CC=C2Cl)C(C(=O)OC)=C(C)N=C1COCCN
InChI
InChIKey=BWAQLJHPVPAANJ-WLHGVMLRSA-N
InChI=1S/C20H23ClN2O5.C4H4O4/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21;5-3(6)1-2-4(7)8/h5-8H,4,9-11,22H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
| Molecular Formula | C20H23ClN2O5 |
| Molecular Weight | 406.86 |
| 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 10:49:01 UTC 2023
by
admin
on
Sat Dec 16 10:49:01 UTC 2023
|
| Record UNII |
SMK3E8GQ3W
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
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129318512
Created by
admin on Sat Dec 16 10:49:01 UTC 2023 , Edited by admin on Sat Dec 16 10:49:01 UTC 2023
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PRIMARY | |||
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2138811-33-1
Created by
admin on Sat Dec 16 10:49:01 UTC 2023 , Edited by admin on Sat Dec 16 10:49:01 UTC 2023
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PRIMARY | |||
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SMK3E8GQ3W
Created by
admin on Sat Dec 16 10:49:01 UTC 2023 , Edited by admin on Sat Dec 16 10:49:01 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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