Details
Stereochemistry | RACEMIC |
Molecular Formula | 2C14H13N3.2ClH.H2O |
Molecular Weight | 537.483 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 2 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.Cl.Cl.N#CC1=CC=C(C=C1)C2CCCC3=CN=CN23.N#CC4=CC=C(C=C4)C5CCCC6=CN=CN56
InChI
InChIKey=RBNOZCGLHXZRLF-UHFFFAOYSA-N
InChI=1S/2C14H13N3.2ClH.H2O/c2*15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14;;;/h2*4-7,9-10,14H,1-3H2;2*1H;1H2
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 | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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
Sat Dec 16 05:16:43 UTC 2023
by
admin
on
Sat Dec 16 05:16:43 UTC 2023
|
Record UNII |
O5207G4XQ9
|
Record Status |
Validated (UNII)
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Record Version |
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-
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11954367
Created by
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100000127581
Created by
admin on Sat Dec 16 05:16:43 UTC 2023 , Edited by admin on Sat Dec 16 05:16:43 UTC 2023
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O5207G4XQ9
Created by
admin on Sat Dec 16 05:16:43 UTC 2023 , Edited by admin on Sat Dec 16 05:16:43 UTC 2023
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SUB33655
Created by
admin on Sat Dec 16 05:16:43 UTC 2023 , Edited by admin on Sat Dec 16 05:16:43 UTC 2023
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176702-70-8
Created by
admin on Sat Dec 16 05:16:43 UTC 2023 , Edited by admin on Sat Dec 16 05:16:43 UTC 2023
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Related Record | Type | Details | ||
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ANHYDROUS->SOLVATE | |||
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PARENT -> SALT/SOLVATE | |||
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |