Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C9H13NO2.C6H13NO3S |
Molecular Weight | 346.442 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(=O)(=O)NC1CCCCC1.CNC[C@H](O)C2=CC(O)=CC=C2
InChI
InChIKey=KEZHEKDIRGMTSR-FVGYRXGTSA-N
InChI=1S/C9H13NO2.C6H13NO3S/c1-10-6-9(12)7-3-2-4-8(11)5-7;8-11(9,10)7-6-4-2-1-3-5-6/h2-5,9-12H,6H2,1H3;6-7H,1-5H2,(H,8,9,10)/t9-;/m0./s1
Molecular Formula | C6H13NO3S |
Molecular Weight | 179.237 |
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 | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:23:02 UTC 2023
by
admin
on
Fri Dec 15 15:23:02 UTC 2023
|
Record UNII |
7Z1M2H6R7G
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
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7645-07-0
Created by
admin on Fri Dec 15 15:23:02 UTC 2023 , Edited by admin on Fri Dec 15 15:23:02 UTC 2023
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7Z1M2H6R7G
Created by
admin on Fri Dec 15 15:23:02 UTC 2023 , Edited by admin on Fri Dec 15 15:23:02 UTC 2023
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23618798
Created by
admin on Fri Dec 15 15:23:02 UTC 2023 , Edited by admin on Fri Dec 15 15:23:02 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |