Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H26N2O4S.C4H4O4 |
Molecular Weight | 530.59 |
Optical Activity | ( + ) |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C/C(O)=O.COC1=CC=C(C=C1)[C@@H]2SC3=CC=CC=C3N(CCN(C)C)C(=O)[C@@H]2OC(C)=O
InChI
InChIKey=WHBXLOWLFLTDMD-WECFPGDBSA-N
InChI=1S/C22H26N2O4S.C4H4O4/c1-15(25)28-20-21(16-9-11-17(27-4)12-10-16)29-19-8-6-5-7-18(19)24(22(20)26)14-13-23(2)3;5-3(6)1-2-4(7)8/h5-12,20-21H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;2-1-/t20-,21+;/m1./s1
Molecular Formula | C4H4O4 |
Molecular Weight | 116.0722 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | C22H26N2O4S |
Molecular Weight | 414.518 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 19:00:55 UTC 2023
by
admin
on
Fri Dec 15 19:00:55 UTC 2023
|
Record UNII |
896626Q8XW
|
Record Status |
Validated (UNII)
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Record Version |
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-
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67938926
Created by
admin on Fri Dec 15 19:00:55 UTC 2023 , Edited by admin on Fri Dec 15 19:00:55 UTC 2023
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139492-78-7
Created by
admin on Fri Dec 15 19:00:55 UTC 2023 , Edited by admin on Fri Dec 15 19:00:55 UTC 2023
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DBSALT002322
Created by
admin on Fri Dec 15 19:00:55 UTC 2023 , Edited by admin on Fri Dec 15 19:00:55 UTC 2023
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896626Q8XW
Created by
admin on Fri Dec 15 19:00:55 UTC 2023 , Edited by admin on Fri Dec 15 19:00:55 UTC 2023
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314592
Created by
admin on Fri Dec 15 19:00:55 UTC 2023 , Edited by admin on Fri Dec 15 19:00:55 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
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PARENT -> SALT/SOLVATE |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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