Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C17H20N4S.C4H6O6 |
Molecular Weight | 462.519 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[C@H]([C@@H](O)C(O)=O)C(O)=O.CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=C2C=C(C)S4
InChI
InChIKey=NFEUHAIRXOEOTJ-LREBCSMRSA-N
InChI=1S/C17H20N4S.C4H6O6/c1-12-11-13-16(21-9-7-20(2)8-10-21)18-14-5-3-4-6-15(14)19-17(13)22-12;5-1(3(7)8)2(6)4(9)10/h3-6,11,19H,7-10H2,1-2H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
Molecular Formula | C4H6O6 |
Molecular Weight | 150.0868 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C17H20N4S |
Molecular Weight | 312.432 |
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
Sat Dec 16 08:04:42 UTC 2023
by
admin
on
Sat Dec 16 08:04:42 UTC 2023
|
Record UNII |
0KNI3MFH5F
|
Record Status |
Validated (UNII)
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Record Version |
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-
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Systematic Name | English |
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135565848
Created by
admin on Sat Dec 16 08:04:42 UTC 2023 , Edited by admin on Sat Dec 16 08:04:42 UTC 2023
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PRIMARY | |||
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0KNI3MFH5F
Created by
admin on Sat Dec 16 08:04:42 UTC 2023 , Edited by admin on Sat Dec 16 08:04:42 UTC 2023
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PRIMARY | |||
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DBSALT002314
Created by
admin on Sat Dec 16 08:04:42 UTC 2023 , Edited by admin on Sat Dec 16 08:04:42 UTC 2023
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1507405-30-2
Created by
admin on Sat Dec 16 08:04:42 UTC 2023 , Edited by admin on Sat Dec 16 08:04:42 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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491828-16-1
Created by
admin on Sat Dec 16 08:04:42 UTC 2023 , Edited by admin on Sat Dec 16 08:04:42 UTC 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 |