Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C18H26N2O3S.ClH |
Molecular Weight | 386.937 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.[H][C@]12CCCN([C@@]1([H])C[C@]3([H])N(CCC4=C3C=CC(OC)=C4)C2)S(C)(=O)=O
InChI
InChIKey=ITJOISLXCMAIOC-CVLULELNSA-N
InChI=1S/C18H26N2O3S.ClH/c1-23-15-5-6-16-13(10-15)7-9-19-12-14-4-3-8-20(24(2,21)22)17(14)11-18(16)19;/h5-6,10,14,17-18H,3-4,7-9,11-12H2,1-2H3;1H/t14-,17+,18+;/m1./s1
Molecular Formula | C18H26N2O3S |
Molecular Weight | 350.476 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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
Fri Dec 15 17:20:16 GMT 2023
by
admin
on
Fri Dec 15 17:20:16 GMT 2023
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Record UNII |
YV5E1TYM8Y
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Record Status |
Validated (UNII)
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Record Version |
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-
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168898
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CHEMBL163911
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119942-75-5
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YV5E1TYM8Y
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DTXSID40923148
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admin on Fri Dec 15 17:20:16 GMT 2023 , Edited by admin on Fri Dec 15 17:20:16 GMT 2023
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C060956
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admin on Fri Dec 15 17:20:16 GMT 2023 , Edited by admin on Fri Dec 15 17:20:16 GMT 2023
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C169882
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EE-72
Created by
admin on Fri Dec 15 17:20:16 GMT 2023 , Edited by admin on Fri Dec 15 17:20:16 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |