Details
Stereochemistry | RACEMIC |
Molecular Formula | C19H15F3N4O3.C7H8O3S.H2O |
Molecular Weight | 594.56 |
Optical Activity | ( + / - ) |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CC1=CC=C(C=C1)S(O)(=O)=O.NC2CCN(C2)C3=NC4=C(C=C3F)C(=O)C(=CN4C5=C(F)C=C(F)C=C5)C(O)=O
InChI
InChIKey=SSULTCPIIYRGFQ-UHFFFAOYSA-N
InChI=1S/C19H15F3N4O3.C7H8O3S.H2O/c20-9-1-2-15(13(21)5-9)26-8-12(19(28)29)16(27)11-6-14(22)18(24-17(11)26)25-4-3-10(23)7-25;1-6-2-4-7(5-3-6)11(8,9)10;/h1-2,5-6,8,10H,3-4,7,23H2,(H,28,29);2-5H,1H3,(H,8,9,10);1H2
Molecular Formula | C7H8O3S |
Molecular Weight | 172.202 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
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 | C19H15F3N4O3 |
Molecular Weight | 404.3426 |
Charge | 0 |
Count |
|
Stereochemistry | RACEMIC |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 1 |
E/Z Centers | 0 |
Optical Activity | ( + / - ) |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 04:36:34 UTC 2023
by
admin
on
Sat Dec 16 04:36:34 UTC 2023
|
Record UNII |
5L69LG8ZDQ
|
Record Status |
Validated (UNII)
|
Record Version |
|
-
Download
Name | Type | Language | ||
---|---|---|---|---|
|
Common Name | English | ||
|
Common Name | English | ||
|
Brand Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Common Name | English | ||
|
Brand Name | English |
Code System | Code | Type | Description | ||
---|---|---|---|---|---|
|
100000164913
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY | |||
|
SUB179549
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY | |||
|
32248
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY | |||
|
1400591-39-0
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY | |||
|
5282468
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY | |||
|
5L69LG8ZDQ
Created by
admin on Sat Dec 16 04:36:34 UTC 2023 , Edited by admin on Sat Dec 16 04:36:34 UTC 2023
|
PRIMARY |
Related Record | Type | Details | ||
---|---|---|---|---|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
Related Record | Type | Details | ||
---|---|---|---|---|
|
ACTIVE MOIETY |