Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C15H17NS2.C6H8O7.H2O |
| Molecular Weight | 485.571 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OC(=O)CC(O)(CC(O)=O)C(O)=O.CN1CCCC(C1)=C(C2=CC=CS2)C3=CC=CS3
InChI
InChIKey=VXPPNPKSTBGSQC-UHFFFAOYSA-N
InChI=1S/C15H17NS2.C6H8O7.H2O/c1-16-8-2-5-12(11-16)15(13-6-3-9-17-13)14-7-4-10-18-14;7-3(8)1-6(13,5(11)12)2-4(9)10;/h3-4,6-7,9-10H,2,5,8,11H2,1H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);1H2
| Molecular Formula | C6H8O7 |
| Molecular Weight | 192.1235 |
| 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 | C15H17NS2 |
| Molecular Weight | 275.432 |
| 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
Sat Dec 16 05:58:09 UTC 2023
by
admin
on
Sat Dec 16 05:58:09 UTC 2023
|
| Record UNII |
245W3QDY3E
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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Common Name | English | ||
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Brand Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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m10883
Created by
admin on Sat Dec 16 05:58:09 UTC 2023 , Edited by admin on Sat Dec 16 05:58:09 UTC 2023
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PRIMARY | Merck Index | ||
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245W3QDY3E
Created by
admin on Sat Dec 16 05:58:09 UTC 2023 , Edited by admin on Sat Dec 16 05:58:09 UTC 2023
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PRIMARY | |||
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76971791
Created by
admin on Sat Dec 16 05:58:09 UTC 2023 , Edited by admin on Sat Dec 16 05:58:09 UTC 2023
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PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
ANHYDROUS->SOLVATE |
