Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C23H23NO2.CH4O3S |
| Molecular Weight | 441.54 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CC(CO)(CO)NCC1=CC2=C3C=CC=CC3=CC=C2C4=CC=CC=C14
InChI
InChIKey=NJWBUDCAWGTQAS-UHFFFAOYSA-N
InChI=1S/C23H23NO2.CH4O3S/c1-23(14-25,15-26)24-13-17-12-22-18-7-3-2-6-16(18)10-11-21(22)20-9-5-4-8-19(17)20;1-5(2,3)4/h2-12,24-26H,13-15H2,1H3;1H3,(H,2,3,4)
| Molecular Formula | C23H23NO2 |
| Molecular Weight | 345.4342 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | CH4O3S |
| Molecular Weight | 96.106 |
| 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
Fri Dec 15 15:02:56 UTC 2023
by
admin
on
Fri Dec 15 15:02:56 UTC 2023
|
| Record UNII |
R6D31YA2WK
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
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NCI_THESAURUS |
C582
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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Z-10
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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C1354
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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R6D31YA2WK
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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96389-69-4
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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PRIMARY | |||
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CHEMBL61495
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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DTXSID70242218
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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57061
Created by
admin on Fri Dec 15 15:02:57 UTC 2023 , Edited by admin on Fri Dec 15 15:02:57 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |