Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H26N2O4S.C4H6O5 |
Molecular Weight | 548.605 |
Optical Activity | ( + ) |
Defined Stereocenters | 3 / 3 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@@H](CC(O)=O)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=IUSFTUWHKCSCDY-QTKZZPNDSA-N
InChI=1S/C22H26N2O4S.C4H6O5/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;5-2(4(8)9)1-3(6)7/h5-12,20-21H,13-14H2,1-4H3;2,5H,1H2,(H,6,7)(H,8,9)/t20-,21+;2-/m10/s1
Molecular Formula | C4H6O5 |
Molecular Weight | 134.0874 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
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 15:33:49 UTC 2023
by
admin
on
Fri Dec 15 15:33:49 UTC 2023
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Record UNII |
14Y6444DRP
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C333
Created by
admin on Fri Dec 15 15:33:49 UTC 2023 , Edited by admin on Fri Dec 15 15:33:49 UTC 2023
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DBSALT001394
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DTXSID00860484
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SUB20629
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FF-28
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14Y6444DRP
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CHEMBL23
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100000086196
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C47493
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144604-00-2
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3037122
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81999
Created by
admin on Fri Dec 15 15:33:49 UTC 2023 , Edited by admin on Fri Dec 15 15:33:49 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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