Details
Stereochemistry | ACHIRAL |
Molecular Formula | 2C15H19N5.H2O.H2O4S |
Molecular Weight | 654.783 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OS(O)(=O)=O.CN(C)CCC1=CNC2=CC=C(CN3C=NC=N3)C=C12.CN(C)CCC4=CNC5=CC=C(CN6C=NC=N6)C=C45
InChI
InChIKey=SMWLLNMVQNVPLD-UHFFFAOYSA-N
InChI=1S/2C15H19N5.H2O4S.H2O/c2*1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20;1-5(2,3)4;/h2*3-4,7-8,10-11,17H,5-6,9H2,1-2H3;(H2,1,2,3,4);1H2
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | C15H19N5 |
Molecular Weight | 269.3449 |
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 15:53:19 UTC 2023
by
admin
on
Fri Dec 15 15:53:19 UTC 2023
|
Record UNII |
13RRH2218G
|
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 |
C47794
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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Code System | Code | Type | Description | ||
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19610426
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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SUB20684
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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HH-47
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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159776-67-7
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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153764-00-2
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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ALTERNATIVE | |||
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100000086465
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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DTXSID10936169
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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13RRH2218G
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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C66520
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY | |||
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CHEMBL905
Created by
admin on Fri Dec 15 15:53:19 UTC 2023 , Edited by admin on Fri Dec 15 15:53:19 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |