Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H16ClNO2S.BrH.H2O |
Molecular Weight | 420.749 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Br.COC(=O)[C@@H](N1CCC2=C(C1)C=CS2)C3=CC=CC=C3Cl
InChI
InChIKey=HTEWJQMRGUTISZ-CKUXDGONSA-N
InChI=1S/C16H16ClNO2S.BrH.H2O/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;;/h2-5,7,9,15H,6,8,10H2,1H3;1H;1H2/t15-;;/m0../s1
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | BrH |
Molecular Weight | 80.912 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C16H16ClNO2S |
Molecular Weight | 321.822 |
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 21:17:09 UTC 2023
by
admin
on
Fri Dec 15 21:17:09 UTC 2023
|
Record UNII |
T9U0M28798
|
Record Status |
Validated (UNII)
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Record Version |
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-
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T9U0M28798
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DTXSID50237708
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67019436
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100000145056
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SUB122697
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894353-16-3
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admin on Fri Dec 15 21:17:09 UTC 2023 , Edited by admin on Fri Dec 15 21:17:09 UTC 2023
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Related Record | Type | Details | ||
---|---|---|---|---|
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE |