Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C13H14N2O.ClH |
Molecular Weight | 250.724 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC1=CC=C2CC[C@@H](CC3=CNC=N3)C2=C1
InChI
InChIKey=OYKZVKWXOWICFI-PPHPATTJSA-N
InChI=1S/C13H14N2O.ClH/c16-12-4-3-9-1-2-10(13(9)6-12)5-11-7-14-8-15-11;/h3-4,6-8,10,16H,1-2,5H2,(H,14,15);1H/t10-;/m0./s1
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 |
Molecular Formula | C13H14N2O |
Molecular Weight | 214.2631 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 11:05:33 GMT 2023
by
admin
on
Sat Dec 16 11:05:33 GMT 2023
|
Record UNII |
454V4WR48B
|
Record Status |
Validated (UNII)
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Record Version |
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-
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454V4WR48B
Created by
admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
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76961046
Created by
admin on Sat Dec 16 11:05:34 GMT 2023 , Edited by admin on Sat Dec 16 11:05:34 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |