Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 3C19H16Cl2N3O5S.Al.3H2O |
| Molecular Weight | 1488.983 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 9 / 9 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.O.[Al+3].CC1=C(C(=O)N[C@H]2[C@H]3SC(C)(C)[C@@H](N3C2=O)C([O-])=O)C(=NO1)C4=C(Cl)C=CC=C4Cl.CC5=C(C(=O)N[C@H]6[C@H]7SC(C)(C)[C@@H](N7C6=O)C([O-])=O)C(=NO5)C8=C(Cl)C=CC=C8Cl.CC9=C(C(=O)N[C@H]%10[C@H]%11SC(C)(C)[C@@H](N%11C%10=O)C([O-])=O)C(=NO9)C%12=C(Cl)C=CC=C%12Cl
InChI
InChIKey=TWAVPPCJELARDO-QGVPZSLDSA-K
InChI=1S/3C19H17Cl2N3O5S.Al.3H2O/c3*1-7-10(12(23-29-7)11-8(20)5-4-6-9(11)21)15(25)22-13-16(26)24-14(18(27)28)19(2,3)30-17(13)24;;;;/h3*4-6,13-14,17H,1-3H3,(H,22,25)(H,27,28);;3*1H2/q;;;+3;;;/p-3/t3*13-,14+,17-;;;;/m111..../s1
| Molecular Formula | C19H17Cl2N3O5S |
| Molecular Weight | 470.326 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 3 / 3 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
| Molecular Formula | HO |
| Molecular Weight | 17.0073 |
| Charge | -1 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | Al |
| Molecular Weight | 26.9815386 |
| Charge | 3 |
| 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
Mon Mar 31 18:09:39 GMT 2025
by
admin
on
Mon Mar 31 18:09:39 GMT 2025
|
| Record UNII |
C2Y7S11EJA
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
|---|---|---|---|---|
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Common Name | English | ||
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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23232-35-1
Created by
admin on Mon Mar 31 18:09:39 GMT 2025 , Edited by admin on Mon Mar 31 18:09:39 GMT 2025
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PRIMARY | |||
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C2Y7S11EJA
Created by
admin on Mon Mar 31 18:09:39 GMT 2025 , Edited by admin on Mon Mar 31 18:09:39 GMT 2025
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PRIMARY | |||
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133082465
Created by
admin on Mon Mar 31 18:09:39 GMT 2025 , Edited by admin on Mon Mar 31 18:09:39 GMT 2025
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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