Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H28F2N6O4S.H2O |
| Molecular Weight | 540.583 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.CCCSC1=NC2=C(N=NN2[C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)C(N[C@@H]4C[C@H]4C5=CC=C(F)C(F)=C5)=N1
InChI
InChIKey=LXLCTRJKFYBHRD-VQNGXBDNSA-N
InChI=1S/C23H28F2N6O4S.H2O/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33;/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28);1H2/t12-,15+,16+,17-,19-,20+;/m0./s1
| 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 | C23H28F2N6O4S |
| Molecular Weight | 522.568 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 10:36:03 UTC 2023
by
admin
on
Sat Dec 16 10:36:03 UTC 2023
|
| Record UNII |
0UZ317Q903
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Systematic Name | English | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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77107968
Created by
admin on Sat Dec 16 10:36:04 UTC 2023 , Edited by admin on Sat Dec 16 10:36:04 UTC 2023
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PRIMARY | |||
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0UZ317Q903
Created by
admin on Sat Dec 16 10:36:04 UTC 2023 , Edited by admin on Sat Dec 16 10:36:04 UTC 2023
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PRIMARY | |||
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377093-13-5
Created by
admin on Sat Dec 16 10:36:04 UTC 2023 , Edited by admin on Sat Dec 16 10:36:04 UTC 2023
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NON-SPECIFIC STOICHIOMETRY | |||
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1648912-09-7
Created by
admin on Sat Dec 16 10:36:04 UTC 2023 , Edited by admin on Sat Dec 16 10:36:04 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE | |||
|
ANHYDROUS->SOLVATE |
