Details
Stereochemistry | RACEMIC |
Molecular Formula | C18H15Cl3N2O.HNO3 |
Molecular Weight | 444.696 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O[N+]([O-])=O.ClC1=CC=C(COC(CN2C=CN=C2)C3=C(Cl)C=C(Cl)C=C3)C=C1
InChI
InChIKey=DDXORDQKGIZAME-UHFFFAOYSA-N
InChI=1S/C18H15Cl3N2O.HNO3/c19-14-3-1-13(2-4-14)11-24-18(10-23-8-7-22-12-23)16-6-5-15(20)9-17(16)21;2-1(3)4/h1-9,12,18H,10-11H2;(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 | C18H15Cl3N2O |
Molecular Weight | 381.684 |
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 15:19:13 UTC 2023
by
admin
on
Fri Dec 15 15:19:13 UTC 2023
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Record UNII |
H438WYN10E
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Record Status |
Validated (UNII)
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Record Version |
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-
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Classification Tree | Code System | Code | ||
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NCI_THESAURUS |
C514
Created by
admin on Fri Dec 15 15:19:13 UTC 2023 , Edited by admin on Fri Dec 15 15:19:13 UTC 2023
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Code System | Code | Type | Description | ||
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68589
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C47506
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24169-02-6
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68797-31-9
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SUPERSEDED | |||
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246-053-5
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100000092986
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m4819
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admin on Fri Dec 15 15:19:13 UTC 2023 , Edited by admin on Fri Dec 15 15:19:13 UTC 2023
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PRIMARY | Merck Index | ||
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H438WYN10E
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4755
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DTXSID6025226
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SUB01855MIG
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DBSALT002838
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H438WYN10E
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CHEMBL808
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1231808
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142434
Created by
admin on Fri Dec 15 15:19:13 UTC 2023 , Edited by admin on Fri Dec 15 15:19:13 UTC 2023
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PRIMARY | RxNorm |
Related Record | Type | Details | ||
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE | |||
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BASIS OF STRENGTH->SUBSTANCE |
ASSAY (TITRATION)
USP
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ENANTIOMER -> RACEMATE |
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 |