Details
Stereochemistry | RACEMIC |
Molecular Formula | C20H15Cl3N2OS.HNO3 |
Molecular Weight | 500.783 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[N+]([O-])=O.ClC1=CC(Cl)=C(C=C1)C(CN2C=CN=C2)OCC3=CSC4=C3C=CC=C4Cl
InChI
InChIKey=HAAITRDZHUANGT-UHFFFAOYSA-N
InChI=1S/C20H15Cl3N2OS.HNO3/c21-14-4-5-16(18(23)8-14)19(9-25-7-6-24-12-25)26-10-13-11-27-20-15(13)2-1-3-17(20)22;2-1(3)4/h1-8,11-12,19H,9-10H2;(H,2,3,4)
Molecular Formula | HNO3 |
Molecular Weight | 63.0128 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | C20H15Cl3N2OS |
Molecular Weight | 437.77 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:32:23 UTC 2023
by
admin
on
Fri Dec 15 15:32:23 UTC 2023
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Record UNII |
1DV05410M5
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Record Status |
Validated (UNII)
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Record Version |
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-
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236601
Created by
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1DV05410M5
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DBSALT001382
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DTXSID2045529
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C47716
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200103
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SUB04374MIG
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1DV05410M5
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m9874
Created by
admin on Fri Dec 15 15:32:24 UTC 2023 , Edited by admin on Fri Dec 15 15:32:24 UTC 2023
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99592-39-9
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83687
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100000084931
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CHEMBL1201196
Created by
admin on Fri Dec 15 15:32:24 UTC 2023 , Edited by admin on Fri Dec 15 15:32:24 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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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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||
|
IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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IMPURITY -> PARENT |
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP
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Related Record | Type | Details | ||
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ACTIVE MOIETY |