Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C19H25N3S.C4H4O4 |
Molecular Weight | 771.046 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OC(=O)\C=C\C(O)=O.CN(C)CC(CN1C2=C(SC3=C1C=CC=C3)C=CC=C2)N(C)C.CN(C)CC(CN4C5=C(SC6=C4C=CC=C6)C=CC=C5)N(C)C
InChI
InChIKey=IYUXRJPWEMRLRY-WXXKFALUSA-N
InChI=1S/2C19H25N3S.C4H4O4/c2*1-20(2)13-15(21(3)4)14-22-16-9-5-7-11-18(16)23-19-12-8-6-10-17(19)22;5-3(6)1-2-4(7)8/h2*5-12,15H,13-14H2,1-4H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
Molecular Formula | C19H25N3S |
Molecular Weight | 327.487 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:36:41 GMT 2023
by
admin
on
Fri Dec 15 16:36:41 GMT 2023
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Record UNII |
R520B454OA
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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 |
C29698
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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NCI_THESAURUS |
C29696
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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CFR |
21 CFR 522.82
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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Code System | Code | Type | Description | ||
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R520B454OA
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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PRIMARY | |||
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50943013
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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PRIMARY | |||
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3688-62-8
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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PRIMARY | |||
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222-987-9
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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m1733
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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PRIMARY | Merck Index | ||
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C76458
Created by
admin on Fri Dec 15 16:36:41 GMT 2023 , Edited by admin on Fri Dec 15 16:36:41 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |