Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C15H15FIN3O3 |
| Molecular Weight | 431.2008 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OC[C@@H](O)CNC(=O)C1=C(NC2=C(F)C=C(I)C=C2)C=NC=C1
InChI
InChIKey=VIUAUNHCRHHYNE-JTQLQIEISA-N
InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1
| Molecular Formula | C15H15FIN3O3 |
| Molecular Weight | 431.2008 |
| 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
Fri Dec 15 20:15:38 UTC 2023
by
admin
on
Fri Dec 15 20:15:38 UTC 2023
|
| Record UNII |
6ON9RK82AL
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
|---|---|---|---|---|
|
Official Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Systematic Name | English | ||
|
Common Name | English | ||
|
Systematic Name | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English | ||
|
Code | English |
| Classification Tree | Code System | Code | ||
|---|---|---|---|---|
|
NCI_THESAURUS |
C69145
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
||
|
NCI_THESAURUS |
C129825
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
|
1236699-92-5
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
44187362
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
DB14904
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
9498
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
6ON9RK82AL
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
100000176282
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
C84864
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
CHEMBL2107832
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY | |||
|
ZZ-116
Created by
admin on Fri Dec 15 20:15:38 UTC 2023 , Edited by admin on Fri Dec 15 20:15:38 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
SALT/SOLVATE -> PARENT | |||
|
EXCRETED UNCHANGED |
AMOUNT EXCRETED
FECAL
|
||
|
EXCRETED UNCHANGED |
AMOUNT EXCRETED
URINE
|
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
METABOLITE -> PARENT |
AUC STUDY
PLASMA
|
||
|
PARENT -> METABOLITE |
MINOR
URINE
|
||
|
METABOLITE -> PARENT |
MAJOR
FECAL; PLASMA; URINE
|
||
|
PARENT -> METABOLITE |
MINOR
FECAL; PLASMA; URINE
|
||
|
METABOLITE -> PARENT |
LESS THAN 1%
MAJOR
URINE
|
||
|
|
METABOLITE -> PARENT | |||
|
METABOLITE -> PARENT |
M554 was not formed in
liver microsomes of different species (human, mouse, rat, dog, monkey) (
MAJOR
PLASMA; URINE
|
||
|
PARENT -> METABOLITE |
MINOR
FECAL
|
| Name | Property Type | Amount | Referenced Substance | Defining | Parameters | References |
|---|---|---|---|---|---|---|
| Volume of Distribution | PHARMACOKINETIC |
|
INTRAVENOUS ADMINISTRATION |
|
||