Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H19ClN2S.C6H8O6 |
Molecular Weight | 494.9902 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CN(C)CCCN1c2ccccc2Sc3ccc(cc31)Cl.C([C@@]([H])([C@]1([H])C(=C(C(=O)O1)O)O)O)O
InChI
InChIKey=HPAVYPYIWVCLSG-MGMRMFRLSA-N
InChI=1S/C17H19ClN2S.C6H8O6/c1-19(2)10-5-11-20-14-6-3-4-7-16(14)21-17-9-8-13(18)12-15(17)20;7-1-2(8)5-3(9)4(10)6(11)12-5/h3-4,6-9,12H,5,10-11H2,1-2H3;2,5,7-10H,1H2/t;2-,5+/m.0/s1
Molecular Formula | C6H8O6 |
Molecular Weight | 176.1244 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C17H19ClN2S |
Molecular Weight | 318.8658 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Jun 26 11:44:42 UTC 2021
by
admin
on
Sat Jun 26 11:44:42 UTC 2021
|
Record UNII |
46995AIA65
|
Record Status |
Validated (UNII)
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Record Version |
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-
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82678-20-4
Created by
admin on Sat Jun 26 11:44:42 UTC 2021 , Edited by admin on Sat Jun 26 11:44:42 UTC 2021
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82678-20-4
Created by
admin on Sat Jun 26 11:44:42 UTC 2021 , Edited by admin on Sat Jun 26 11:44:42 UTC 2021
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PRIMARY | |||
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46995AIA65
Created by
admin on Sat Jun 26 11:44:42 UTC 2021 , Edited by admin on Sat Jun 26 11:44:42 UTC 2021
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54683198
Created by
admin on Sat Jun 26 11:44:42 UTC 2021 , Edited by admin on Sat Jun 26 11:44:42 UTC 2021
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |