Details
Stereochemistry | ACHIRAL |
Molecular Formula | C27H30N7OS.K.3H2O |
Molecular Weight | 593.783 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[K+].CCCCC1=NC(C)=C(CC(=S)N(C)C)C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NN=N[N-]4
InChI
InChIKey=IJEKJHQBGZFMMI-UHFFFAOYSA-N
InChI=1S/C27H30N7OS.K.3H2O/c1-5-6-11-24-28-18(2)23(16-25(36)33(3)4)27(35)34(24)17-19-12-14-20(15-13-19)21-9-7-8-10-22(21)26-29-31-32-30-26;;;;/h7-10,12-15H,5-6,11,16-17H2,1-4H3;;3*1H2/q-1;+1;;;
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 | C27H31N7OS |
Molecular Weight | 501.646 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | K |
Molecular Weight | 39.0983 |
Charge | 1 |
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
Sat Dec 16 08:10:40 UTC 2023
by
admin
on
Sat Dec 16 08:10:40 UTC 2023
|
Record UNII |
4516BN0T4B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DBSALT001281
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46929800
Created by
admin on Sat Dec 16 08:10:40 UTC 2023 , Edited by admin on Sat Dec 16 08:10:40 UTC 2023
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1020110-23-9
Created by
admin on Sat Dec 16 08:10:40 UTC 2023 , Edited by admin on Sat Dec 16 08:10:40 UTC 2023
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100000165808
Created by
admin on Sat Dec 16 08:10:40 UTC 2023 , Edited by admin on Sat Dec 16 08:10:40 UTC 2023
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4516BN0T4B
Created by
admin on Sat Dec 16 08:10:40 UTC 2023 , Edited by admin on Sat Dec 16 08:10:40 UTC 2023
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SUB179690
Created by
admin on Sat Dec 16 08:10:40 UTC 2023 , Edited by admin on Sat Dec 16 08:10:40 UTC 2023
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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 |