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].[H][C@]12SC(C)(C)[C@@H](N1C(=O)[C@H]2NC(=O)C3=C(C)ON=C3C4=C(Cl)C=CC=C4Cl)C([O-])=O.[H][C@]56SC(C)(C)[C@@H](N5C(=O)[C@H]6NC(=O)C7=C(C)ON=C7C8=C(Cl)C=CC=C8Cl)C([O-])=O.[H][C@]9%10SC(C)(C)[C@@H](N9C(=O)[C@H]%10NC(=O)C%11=C(C)ON=C%11C%12=C(Cl)C=CC=C%12Cl)C([O-])=O
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 | Al |
| Molecular Weight | 26.9815 |
| Charge | 3 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:48:55 GMT 2023
by
admin
on
Fri Dec 15 15:48:55 GMT 2023
|
| Record UNII |
C2Y7S11EJA
|
| 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 |
| Code System | Code | Type | Description | ||
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37765-39-2
Created by
admin on Fri Dec 15 15:48:55 GMT 2023 , Edited by admin on Fri Dec 15 15:48:55 GMT 2023
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PRIMARY | |||
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C2Y7S11EJA
Created by
admin on Fri Dec 15 15:48:55 GMT 2023 , Edited by admin on Fri Dec 15 15:48:55 GMT 2023
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PRIMARY | |||
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133082465
Created by
admin on Fri Dec 15 15:48:55 GMT 2023 , Edited by admin on Fri Dec 15 15:48:55 GMT 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
|
PARENT -> SALT/SOLVATE |
