Details
Stereochemistry | ACHIRAL |
Molecular Formula | C21H25NO.CH4O3S |
Molecular Weight | 403.535 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChIKey=CPFJLLXFNPCTDW-BWSPSPBFSA-N
InChI=1S/C21H25NO.CH4O3S/c1-22-18-12-13-19(22)15-20(14-18)23-21(16-8-4-2-5-9-16)17-10-6-3-7-11-17;1-5(2,3)4/h2-11,18-21H,12-15H2,1H3;1H3,(H,2,3,4)/t18-,19+,20+;
Molecular Formula | CH4O3S |
Molecular Weight | 96.106 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C21H25NO |
Molecular Weight | 307.4293 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:54:44 UTC 2023
by
admin
on
Sat Dec 16 04:54:44 UTC 2023
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Record UNII |
WMJ8TL7510
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C29704
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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169913
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1061005
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205-048-8
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C28864
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18927
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admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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SUB31964
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WMJ8TL7510
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132-17-2
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3049
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CHEMBL1201203
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WMJ8TL7510
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m2394
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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DTXSID0045096
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DBSALT000894
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100000124563
Created by
admin on Sat Dec 16 04:54:44 UTC 2023 , Edited by admin on Sat Dec 16 04:54:44 UTC 2023
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Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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IMPURITY -> PARENT |
An absolute control is imposed over the potential presence as it is included as IPC specification and Intermediate release specification into the Stage-I, Crude benztropine mesylate with a stringent 75-ppm limit.
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Related Record | Type | Details | ||
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ACTIVE MOIETY |