Details
Stereochemistry | RACEMIC |
Molecular Formula | C14H13N3.ClH |
Molecular Weight | 259.734 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.N#CC1=CC=C(C=C1)C2CCCC3=CN=CN23
InChI
InChIKey=UKCVAQGKEOJTSR-UHFFFAOYSA-N
InChI=1S/C14H13N3.ClH/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;/h4-7,9-10,14H,1-3H2;1H
Molecular Formula | C14H13N3 |
Molecular Weight | 223.2731 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
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 15:39:44 UTC 2023
by
admin
on
Fri Dec 15 15:39:44 UTC 2023
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Record UNII |
H0Q44H4ECQ
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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 |
C2018
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admin on Fri Dec 15 15:39:44 UTC 2023 , Edited by admin on Fri Dec 15 15:39:44 UTC 2023
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CHEMBL9298
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59694
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H0Q44H4ECQ
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100000078562
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BB-36
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102676-31-3
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DTXSID4020618
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SUB16431MIG
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C1044
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m5238
Created by
admin on Fri Dec 15 15:39:44 UTC 2023 , Edited by admin on Fri Dec 15 15:39:44 UTC 2023
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PRIMARY | Merck Index |
Related Record | Type | Details | ||
---|---|---|---|---|
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SALT/SOLVATE -> PARENT | |||
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PARENT -> SALT/SOLVATE | |||
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ENANTIOMER -> RACEMATE | |||
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SOLVATE->ANHYDROUS |
Related Record | Type | Details | ||
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ACTIVE MOIETY |