Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C16H16ClN3O3S.H2O |
Molecular Weight | 749.684 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1CC2=C(C=CC=C2)N1NC(=O)C3=CC=C(Cl)C(=C3)S(N)(=O)=O.CC4CC5=C(C=CC=C5)N4NC(=O)C6=CC=C(Cl)C(=C6)S(N)(=O)=O
InChI
InChIKey=GPFKQEHXQLDCEK-UHFFFAOYSA-N
InChI=1S/2C16H16ClN3O3S.H2O/c2*1-10-8-11-4-2-3-5-14(11)20(10)19-16(21)12-6-7-13(17)15(9-12)24(18,22)23;/h2*2-7,9-10H,8H2,1H3,(H,19,21)(H2,18,22,23);1H2
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 | C16H16ClN3O3S |
Molecular Weight | 365.835 |
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 09:06:24 UTC 2023
by
admin
on
Sat Dec 16 09:06:24 UTC 2023
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Record UNII |
W0LY35K007
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Record Status |
Validated (UNII)
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Record Version |
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-
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W0LY35K007
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23725081
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admin on Sat Dec 16 09:06:25 UTC 2023 , Edited by admin on Sat Dec 16 09:06:25 UTC 2023
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100000086962
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admin on Sat Dec 16 09:06:25 UTC 2023 , Edited by admin on Sat Dec 16 09:06:25 UTC 2023
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SUB02662MIG
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admin on Sat Dec 16 09:06:25 UTC 2023 , Edited by admin on Sat Dec 16 09:06:25 UTC 2023
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180004-24-4
Created by
admin on Sat Dec 16 09:06:25 UTC 2023 , Edited by admin on Sat Dec 16 09:06:25 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |