Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C16H22F3N5O4S2 |
| Molecular Weight | 469.502 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CSCCNC1=C2N=CN([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)C2=NC(SCCC(F)(F)F)=N1
InChI
InChIKey=ZGVUPMJCZYBIDI-IDTAVKCVSA-N
InChI=1S/C16H22F3N5O4S2/c1-29-5-3-20-12-9-13(23-15(22-12)30-4-2-16(17,18)19)24(7-21-9)14-11(27)10(26)8(6-25)28-14/h7-8,10-11,14,25-27H,2-6H2,1H3,(H,20,22,23)/t8-,10-,11-,14-/m1/s1
| Molecular Formula | C16H22F3N5O4S2 |
| Molecular Weight | 469.502 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 4 / 4 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:47:33 GMT 2023
by
admin
on
Sat Dec 16 18:47:33 GMT 2023
|
| Record UNII |
39WQB3ZG8Z
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Systematic Name | English | ||
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Systematic Name | English | ||
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Code | English |
| Code System | Code | Type | Description | ||
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163706-58-9
Created by
admin on Sat Dec 16 18:47:33 GMT 2023 , Edited by admin on Sat Dec 16 18:47:33 GMT 2023
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PRIMARY | |||
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39WQB3ZG8Z
Created by
admin on Sat Dec 16 18:47:33 GMT 2023 , Edited by admin on Sat Dec 16 18:47:33 GMT 2023
|
PRIMARY | |||
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10600409
Created by
admin on Sat Dec 16 18:47:33 GMT 2023 , Edited by admin on Sat Dec 16 18:47:33 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> METABOLITE |
TRACES
FECAL; URINE
|
||
|
PARENT -> METABOLITE |
MAJOR
PLASMA
|
