Details
Stereochemistry | ABSOLUTE |
Molecular Formula | C20H17BrN4O2 |
Molecular Weight | 425.279 |
Optical Activity | UNSPECIFIED |
Defined Stereocenters | 1 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
CC1=CN=C2[C@H](CCC(O)=O)N=C(C3=NC=CC=C3)C4=CC(Br)=CC=C4N12
InChI
InChIKey=YOIMNRZPSLYTHB-INIZCTEOSA-N
InChI=1S/C20H17BrN4O2/c1-12-11-23-20-16(6-8-18(26)27)24-19(15-4-2-3-9-22-15)14-10-13(21)5-7-17(14)25(12)20/h2-5,7,9-11,16H,6,8H2,1H3,(H,26,27)/t16-/m0/s1
Molecular Formula | C20H17BrN4O2 |
Molecular Weight | 425.279 |
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 07:09:49 GMT 2023
by
admin
on
Sat Dec 16 07:09:49 GMT 2023
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Record UNII |
0HXB5NG8TY
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Record Status |
Validated (UNII)
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Record Version |
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-
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960305-91-3
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46941174
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0HXB5NG8TY
Created by
admin on Sat Dec 16 07:09:49 GMT 2023 , Edited by admin on Sat Dec 16 07:09:49 GMT 2023
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DTXSID20242102
Created by
admin on Sat Dec 16 07:09:49 GMT 2023 , Edited by admin on Sat Dec 16 07:09:49 GMT 2023
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Related Record | Type | Details | ||
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PARENT -> METABOLITE INACTIVE |
PLASMA
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PARENT -> METABOLITE INACTIVE |
URINE
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PARENT -> METABOLITE |
URINE
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Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
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Tmax | PHARMACOKINETIC |
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Biological Half-life | PHARMACOKINETIC |
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