Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C12H16N4O3.ClH |
Molecular Weight | 300.741 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
Cl.OC[C@H]1CN(CC2=CNC3=C2N=CNC3=O)C[C@@H]1O
InChI
InChIKey=CMKFYLGNPVHLJV-RJUBDTSPSA-N
InChI=1S/C12H16N4O3.ClH/c17-5-8-3-16(4-9(8)18)2-7-1-13-11-10(7)14-6-15-12(11)19;/h1,6,8-9,13,17-18H,2-5H2,(H,14,15,19);1H/t8-,9+;/m1./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 | C12H16N4O3 |
Molecular Weight | 264.2804 |
Charge | 0 |
Count |
|
Stereochemistry | ABSOLUTE |
Additional Stereochemistry | No |
Defined Stereocenters | 2 / 2 |
E/Z Centers | 0 |
Optical Activity | UNSPECIFIED |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:40:50 UTC 2023
by
admin
on
Fri Dec 15 15:40:50 UTC 2023
|
Record UNII |
O0JCK72YU4
|
Record Status |
Validated (UNII)
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Record Version |
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-
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DTXSID20210563
Created by
admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023
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DBSALT002180
Created by
admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023
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615580-53-5
Created by
admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023
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O0JCK72YU4
Created by
admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 UTC 2023
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135565454
Created by
admin on Fri Dec 15 15:40:50 UTC 2023 , Edited by admin on Fri Dec 15 15:40:50 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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ACTIVE MOIETY |