Details
| Stereochemistry | RACEMIC |
| Molecular Formula | 2C9H13NO2.H2O4S |
| Molecular Weight | 432.489 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CNCC(O)C1=CC=C(O)C=C1.CNCC(O)C2=CC=C(O)C=C2
InChI
InChIKey=KCIXZGUJCYKCKY-UHFFFAOYSA-N
InChI=1S/2C9H13NO2.H2O4S/c2*1-10-6-9(12)7-2-4-8(11)5-3-7;1-5(2,3)4/h2*2-5,9-12H,6H2,1H3;(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 | C9H13NO2 |
| Molecular Weight | 167.205 |
| 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
Sat Dec 16 10:00:25 UTC 2023
by
admin
on
Sat Dec 16 10:00:25 UTC 2023
|
| Record UNII |
QC6316150O
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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139033144
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SUB03565MIG
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100000085487
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QC6316150O
Created by
admin on Sat Dec 16 10:00:25 UTC 2023 , Edited by admin on Sat Dec 16 10:00:25 UTC 2023
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| Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |