Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C16H14F3N3O2S.3H2O |
| Molecular Weight | 792.769 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.CC1=C(C[S@@+]([O-])C2=NC3=C(N2)C=CC=C3)N=CC=C1OCC(F)(F)F.CC4=C(C[S@@+]([O-])C5=NC6=C(N5)C=CC=C6)N=CC=C4OCC(F)(F)F
InChI
InChIKey=XTQWZVSRVXCIGB-BBBDYAHLSA-N
InChI=1S/2C16H14F3N3O2S.3H2O/c2*1-10-13(20-7-6-14(10)24-9-16(17,18)19)8-25(23)15-21-11-4-2-3-5-12(11)22-15;;;/h2*2-7H,8-9H2,1H3,(H,21,22);3*1H2/t2*25-;;;/m11.../s1
| Molecular Formula | C16H14F3N3O2S |
| Molecular Weight | 369.361 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 16:39:44 UTC 2023
by
admin
on
Fri Dec 15 16:39:44 UTC 2023
|
| Record UNII |
HS2S9VK3NH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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71587692
Created by
admin on Fri Dec 15 16:39:44 UTC 2023 , Edited by admin on Fri Dec 15 16:39:44 UTC 2023
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PRIMARY | |||
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HS2S9VK3NH
Created by
admin on Fri Dec 15 16:39:44 UTC 2023 , Edited by admin on Fri Dec 15 16:39:44 UTC 2023
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PRIMARY | |||
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DTXSID50185290
Created by
admin on Fri Dec 15 16:39:44 UTC 2023 , Edited by admin on Fri Dec 15 16:39:44 UTC 2023
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PRIMARY | |||
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313640-86-7
Created by
admin on Fri Dec 15 16:39:44 UTC 2023 , Edited by admin on Fri Dec 15 16:39:44 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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|
PARENT -> SALT/SOLVATE | |||
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ANHYDROUS->SOLVATE |
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| Related Record | Type | Details | ||
|---|---|---|---|---|
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ACTIVE MOIETY |