Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C22H21N3O3.C7H8O3S |
| Molecular Weight | 547.622 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CC=C(C=C1)S(O)(=O)=O.CN(CC2=C(C)C3=C(O2)C=CC=C3)C(=O)\C=C\C4=CC5=C(NC(=O)CC5)N=C4
InChI
InChIKey=NHTYVWVPSCBFQW-HCUGZAAXSA-N
InChI=1S/C22H21N3O3.C7H8O3S/c1-14-17-5-3-4-6-18(17)28-19(14)13-25(2)21(27)10-7-15-11-16-8-9-20(26)24-22(16)23-12-15;1-6-2-4-7(5-3-6)11(8,9)10/h3-7,10-12H,8-9,13H2,1-2H3,(H,23,24,26);2-5H,1H3,(H,8,9,10)/b10-7+;
| Molecular Formula | C22H21N3O3 |
| Molecular Weight | 375.4204 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
| Molecular Formula | C7H8O3S |
| Molecular Weight | 172.202 |
| 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
Sat Dec 16 02:55:44 UTC 2023
by
admin
on
Sat Dec 16 02:55:44 UTC 2023
|
| Record UNII |
VDH5PP94F0
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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Code | English |
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24880177
Created by
admin on Sat Dec 16 02:55:44 UTC 2023 , Edited by admin on Sat Dec 16 02:55:44 UTC 2023
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PRIMARY | |||
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DTXSID90146744
Created by
admin on Sat Dec 16 02:55:44 UTC 2023 , Edited by admin on Sat Dec 16 02:55:44 UTC 2023
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PRIMARY | |||
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VDH5PP94F0
Created by
admin on Sat Dec 16 02:55:44 UTC 2023 , Edited by admin on Sat Dec 16 02:55:44 UTC 2023
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PRIMARY | |||
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1047981-31-6
Created by
admin on Sat Dec 16 02:55:44 UTC 2023 , Edited by admin on Sat Dec 16 02:55:44 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
SOLVATE->ANHYDROUS | |||
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PARENT -> SALT/SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |