Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C16H16ClNO3.CH4O3S |
| Molecular Weight | 401.862 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.OC1=CC=C(C=C1)C2CNCCC3=C(Cl)C(O)=C(O)C=C23
InChI
InChIKey=CVKUMNRCIJMVAR-UHFFFAOYSA-N
InChI=1S/C16H16ClNO3.CH4O3S/c17-15-11-5-6-18-8-13(9-1-3-10(19)4-2-9)12(11)7-14(20)16(15)21;1-5(2,3)4/h1-4,7,13,18-21H,5-6,8H2;1H3,(H,2,3,4)
| 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 |
| Molecular Formula | C16H16ClNO3 |
| Molecular Weight | 305.756 |
| 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 05:00:45 UTC 2023
by
admin
on
Sat Dec 16 05:00:45 UTC 2023
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| Record UNII |
HA3R0MY016
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| Record Status |
Validated (UNII)
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| Record Version |
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-
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| Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C66884
Created by
admin on Sat Dec 16 05:00:45 UTC 2023 , Edited by admin on Sat Dec 16 05:00:45 UTC 2023
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100000087484
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49659
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HA3R0MY016
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SUB02119MIG
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DB00800
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1269458
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67227-57-0
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m5280
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C47531
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266-612-7
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T-106
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203151
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CHEMBL588
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DTXSID00904650
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HA3R0MY016
Created by
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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IMPURITY -> PARENT | |||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |