Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C18H14Cl4N2O.HNO3 |
| Molecular Weight | 479.141 |
| 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=C(Cl)C=CC=C3Cl
InChI
InChIKey=NNGQLSIGRSTLLU-UHFFFAOYSA-N
InChI=1S/C18H14Cl4N2O.HNO3/c19-12-4-5-13(17(22)8-12)18(9-24-7-6-23-11-24)25-10-14-15(20)2-1-3-16(14)21;2-1(3)4/h1-8,11,18H,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 | C18H14Cl4N2O |
| Molecular Weight | 416.129 |
| 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 18:50:14 UTC 2023
by
admin
on
Fri Dec 15 18:50:14 UTC 2023
|
| Record UNII |
5AS8P3N30X
|
| 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
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admin on Fri Dec 15 18:50:14 UTC 2023 , Edited by admin on Fri Dec 15 18:50:14 UTC 2023
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254-769-4
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C020382
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159968
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C98015
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DTXSID60946995
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100000090187
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CHEMBL1571863
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m6475
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admin on Fri Dec 15 18:50:14 UTC 2023 , Edited by admin on Fri Dec 15 18:50:14 UTC 2023
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PRIMARY | Merck Index | ||
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203157
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246-051-4
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40036-10-0
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NON-SPECIFIC STOICHIOMETRY | |||
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24168-96-5
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SUB02786MIG
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5AS8P3N30X
Created by
admin on Fri Dec 15 18:50:14 UTC 2023 , Edited by admin on Fri Dec 15 18:50:14 UTC 2023
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ENANTIOMER -> RACEMATE | |||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |