Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C9H13NO2.C9H9N3O2S2 |
Molecular Weight | 422.522 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CNC[C@H](O)C1=CC(O)=CC=C1.NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CS3
InChI
InChIKey=JOQHXYSRVMHSMA-NPULLEENSA-N
InChI=1S/C9H9N3O2S2.C9H13NO2/c10-7-1-3-8(4-2-7)16(13,14)12-9-11-5-6-15-9;1-10-6-9(12)7-3-2-4-8(11)5-7/h1-6H,10H2,(H,11,12);2-5,9-12H,6H2,1H3/t;9-/m.0/s1
Molecular Formula | C9H13NO2 |
Molecular Weight | 167.205 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Molecular Formula | C9H9N3O2S2 |
Molecular Weight | 255.317 |
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 15:23:03 UTC 2023
by
admin
on
Fri Dec 15 15:23:03 UTC 2023
|
Record UNII |
88S59N1LC7
|
Record Status |
Validated (UNII)
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Record Version |
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-
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88S59N1LC7
Created by
admin on Fri Dec 15 15:23:03 UTC 2023 , Edited by admin on Fri Dec 15 15:23:03 UTC 2023
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7645-09-2
Created by
admin on Fri Dec 15 15:23:03 UTC 2023 , Edited by admin on Fri Dec 15 15:23:03 UTC 2023
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119026102
Created by
admin on Fri Dec 15 15:23:03 UTC 2023 , Edited by admin on Fri Dec 15 15:23:03 UTC 2023
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DTXSID20274766
Created by
admin on Fri Dec 15 15:23:03 UTC 2023 , Edited by admin on Fri Dec 15 15:23:03 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY | |||
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ACTIVE MOIETY |