Details
Stereochemistry | ACHIRAL |
Molecular Formula | C18H13ClFN3.H2O4S |
Molecular Weight | 423.846 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC1=NC(C#CC2=CC(Cl)=NC=C2)=C(C)N1C3=CC=C(F)C=C3
InChI
InChIKey=RPRPXJNEEIIWAL-UHFFFAOYSA-N
InChI=1S/C18H13ClFN3.H2O4S/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16;1-5(2,3)4/h4-7,9-11H,1-2H3;(H2,1,2,3,4)
Molecular Formula | C18H13ClFN3 |
Molecular Weight | 325.767 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | H2O4S |
Molecular Weight | 98.078 |
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 17:33:45 UTC 2023
by
admin
on
Fri Dec 15 17:33:45 UTC 2023
|
Record UNII |
MQ04IL403Q
|
Record Status |
Validated (UNII)
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Record Version |
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-
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131634700
Created by
admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
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MQ04IL403Q
Created by
admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
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1034442-21-1
Created by
admin on Fri Dec 15 17:33:45 UTC 2023 , Edited by admin on Fri Dec 15 17:33:45 UTC 2023
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PRIMARY |
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PARENT -> SALT/SOLVATE |
Related Record | Type | Details | ||
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ACTIVE MOIETY |