Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C11H17NO3.H2O4S |
| Molecular Weight | 520.594 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)NCC(O)C1=CC=C(O)C(O)=C1.CC(C)NCC(O)C2=CC=C(O)C(O)=C2
InChI
InChIKey=ZOLBALGTFCCTJF-UHFFFAOYSA-N
InChI=1S/2C11H17NO3.H2O4S/c2*1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8;1-5(2,3)4/h2*3-5,7,11-15H,6H2,1-2H3;(H2,1,2,3,4)
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C11H17NO3 |
| Molecular Weight | 211.2576 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:31:33 UTC 2023
by
admin
on
Fri Dec 15 16:31:33 UTC 2023
|
| Record UNII |
052RYF6JDD
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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052RYF6JDD
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8239
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206-085-2
Created by
admin on Fri Dec 15 16:31:34 UTC 2023 , Edited by admin on Fri Dec 15 16:31:34 UTC 2023
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DTXSID60985824
Created by
admin on Fri Dec 15 16:31:34 UTC 2023 , Edited by admin on Fri Dec 15 16:31:34 UTC 2023
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299-95-6
Created by
admin on Fri Dec 15 16:31:34 UTC 2023 , Edited by admin on Fri Dec 15 16:31:34 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE | |||
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SOLVATE->ANHYDROUS |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |