Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C16H16ClNO2S.C10H16O4S |
Molecular Weight | 554.118 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1(C)[C@@H]2CC[C@@]1(CS(O)(=O)=O)C(=O)C2.COC(=O)[C@@H](N3CCC4=C(C3)C=CS4)C5=CC=CC=C5Cl
InChI
InChIKey=XEENARPWPCQXST-DDJQTTAYSA-N
InChI=1S/C16H16ClNO2S.C10H16O4S/c1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;1-9(2)7-3-4-10(9,8(11)5-7)6-15(12,13)14/h2-5,7,9,15H,6,8,10H2,1H3;7H,3-6H2,1-2H3,(H,12,13,14)/t15-;7-,10-/m01/s1
Molecular Formula | C10H16O4S |
Molecular Weight | 232.297 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 17:10:32 UTC 2023
by
admin
on
Fri Dec 15 17:10:32 UTC 2023
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Record UNII |
57X57906KK
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Record Status |
Validated (UNII)
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Record Version |
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-
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57X57906KK
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100000164669
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120202-68-8
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DTXSID30621848
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10460309
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SUB179173
Created by
admin on Fri Dec 15 17:10:32 UTC 2023 , Edited by admin on Fri Dec 15 17:10:32 UTC 2023
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PARENT -> SALT/SOLVATE |
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ACTIVE MOIETY |