Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C14H18N2O2.H2O4S |
Molecular Weight | 590.688 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC(C)NCC(O)C1=CC=C(O)C2=C1C=CC=N2.CC(C)NCC(O)C3=CC=C(O)C4=C3C=CC=N4
InChI
InChIKey=MDQRJOGEVJBXMW-UHFFFAOYSA-N
InChI=1S/2C14H18N2O2.H2O4S/c2*1-9(2)16-8-13(18)10-5-6-12(17)14-11(10)4-3-7-15-14;1-5(2,3)4/h2*3-7,9,13,16-18H,8H2,1-2H3;(H2,1,2,3,4)
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C14H18N2O2 |
Molecular Weight | 246.3049 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 17:52:24 GMT 2023
by
admin
on
Fri Dec 15 17:52:24 GMT 2023
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Record UNII |
3PFY85K68G
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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 |
C319
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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Code System | Code | Type | Description | ||
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C152131
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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PRIMARY | |||
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23725001
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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PRIMARY | |||
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13758-23-1
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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PRIMARY | |||
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CHEMBL2009119
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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PRIMARY | |||
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3PFY85K68G
Created by
admin on Fri Dec 15 17:52:24 GMT 2023 , Edited by admin on Fri Dec 15 17:52:24 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |