Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | 2C16H16ClNO2S.C10H8O6S2.2H2O |
| Molecular Weight | 967.971 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 2 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.O.OS(=O)(=O)C1=CC=CC2=C1C=CC=C2S(O)(=O)=O.COC(=O)[C@@H](N3CCC4=C(C3)C=CS4)C5=CC=CC=C5Cl.COC(=O)[C@@H](N6CCC7=C(C6)C=CS7)C8=CC=CC=C8Cl
InChI
InChIKey=QBWIUCDXXQVHNQ-UXIZDUDRSA-N
InChI=1S/2C16H16ClNO2S.C10H8O6S2.2H2O/c2*1-20-16(19)15(12-4-2-3-5-13(12)17)18-8-6-14-11(10-18)7-9-21-14;11-17(12,13)9-5-1-3-7-8(9)4-2-6-10(7)18(14,15)16;;/h2*2-5,7,9,15H,6,8,10H2,1H3;1-6H,(H,11,12,13)(H,14,15,16);2*1H2/t2*15-;;;/m00.../s1
| Molecular Formula | C10H8O6S2 |
| Molecular Weight | 288.297 |
| 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 |
| Molecular Formula | C16H16ClNO2S |
| Molecular Weight | 321.822 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 18:23:54 UTC 2023
by
admin
on
Sat Dec 16 18:23:54 UTC 2023
|
| Record UNII |
V5ED95TZB8
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
Download
| Name | Type | Language | ||
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Common Name | English | ||
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Common Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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950186-96-6
Created by
admin on Sat Dec 16 18:23:54 UTC 2023 , Edited by admin on Sat Dec 16 18:23:54 UTC 2023
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PRIMARY | |||
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164888929
Created by
admin on Sat Dec 16 18:23:54 UTC 2023 , Edited by admin on Sat Dec 16 18:23:54 UTC 2023
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PRIMARY | |||
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V5ED95TZB8
Created by
admin on Sat Dec 16 18:23:54 UTC 2023 , Edited by admin on Sat Dec 16 18:23:54 UTC 2023
|
PRIMARY |
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|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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ANHYDROUS->SOLVATE |
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