Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C22H21N6O7S2.H |
Molecular Weight | 546.576 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
[H+].[H][C@]12SCC(C[N+]3=CC=CC=C3)=C(N1C(=O)[C@H]2NC(=O)C(=N/OC(C)(C)C([O-])=O)\C4=CSC(N)=N4)C([O-])=O
InChI
InChIKey=ORFOPKXBNMVMKC-DWVKKRMSSA-N
InChI=1S/C22H22N6O7S2/c1-22(2,20(33)34)35-26-13(12-10-37-21(23)24-12)16(29)25-14-17(30)28-15(19(31)32)11(9-36-18(14)28)8-27-6-4-3-5-7-27/h3-7,10,14,18H,8-9H2,1-2H3,(H4-,23,24,25,29,31,32,33,34)/b26-13-/t14-,18-/m1/s1
Molecular Formula | C22H21N6O7S2 |
Molecular Weight | 545.568 |
Charge | -1 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 1 |
Optical Activity | UNSPECIFIED |
Molecular Formula | H |
Molecular Weight | 1.0079 |
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
Fri Dec 15 15:53:48 UTC 2023
by
admin
on
Fri Dec 15 15:53:48 UTC 2023
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Record UNII |
DZR1ENT301
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Record Status |
Validated (UNII)
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Record Version |
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-
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Common Name | English | ||
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Code | English | ||
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Classification Tree | Code System | Code | ||
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NCI_THESAURUS |
C357
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admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
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WHO-ATC |
J01DD02
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admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000175488
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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LIVERTOX |
NBK548666
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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LIVERTOX |
NBK547862
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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NDF-RT |
N0000011161
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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Code System | Code | Type | Description | ||
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3508
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PRIMARY | |||
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4886
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759260
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PRIMARY | |||
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DZR1ENT301
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5481173
Created by
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72558-82-8
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DZR1ENT301
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100000092630
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SUB07422MIG
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m3218
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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PRIMARY | Merck Index | ||
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1545984
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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PRIMARY | RxNorm | ||
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276-715-9
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PRIMARY | |||
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C90827
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SUB115175
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PRIMARY | |||
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DTXSID5022770
Created by
admin on Fri Dec 15 15:53:49 UTC 2023 , Edited by admin on Fri Dec 15 15:53:49 UTC 2023
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PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
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SOLVATE->ANHYDROUS |
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EXCRETED UNCHANGED |
URINE
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BINDER->LIGAND |
BINDING
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SALT/SOLVATE -> PARENT |
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SUBSTANCE->BASIS OF STRENGTH |
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Related Record | Type | Details | ||
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ACTIVE MOIETY |
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Biological Half-life | PHARMACOKINETIC |
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