Details
Stereochemistry | RACEMIC |
Molecular Formula | C23H25N5O5.CH4O3S |
Molecular Weight | 547.581 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CS(O)(=O)=O.COC1=CC2=NC(=NC(N)=C2C=C1OC)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4
InChI
InChIKey=VJECBOKJABCYMF-UHFFFAOYSA-N
InChI=1S/C23H25N5O5.CH4O3S/c1-30-18-11-14-15(12-19(18)31-2)25-23(26-21(14)24)28-9-7-27(8-10-28)22(29)20-13-32-16-5-3-4-6-17(16)33-20;1-5(2,3)4/h3-6,11-12,20H,7-10,13H2,1-2H3,(H2,24,25,26);1H3,(H,2,3,4)
Molecular Formula | C23H25N5O5 |
Molecular Weight | 451.4751 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:48:05 UTC 2023
by
admin
on
Fri Dec 15 15:48:05 UTC 2023
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Record UNII |
86P6PQK0MU
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Record Status |
Validated (UNII)
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Record Version |
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-
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NCI_THESAURUS |
C29713
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SUB01824MIG
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1225419
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86P6PQK0MU
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DBSALT001948
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7082
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100000089988
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CHEMBL707
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86P6PQK0MU
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39173
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62978
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m4752
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C29005
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759284
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77883-43-3
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DTXSID5045598
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Related Record | Type | Details | ||
---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (HPLC)
USP
|
||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
---|---|---|---|---|
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
|
||
|
IMPURITY -> PARENT |
COMPETITIVE INHIBITOR
USP
|
||
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
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Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |