| BioID | bio197444 |
|---|
| Name | None |
|---|
| ChEMBL ID | CHEMBL61040 |
|---|
| Molecular Formula | C5H9NaO4S2 |
|---|
| Molecular Weight | 220.25 |
|---|
| Molecular Weight (Monoisotopic) | 198.0021 |
|---|
| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
|---|
| Target Name | None |
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| Synonyms | Sodium 2-Mercaptoethanesulfonate Compound With Acrylaldehyde (1:1) (Acrolein + Mesna) |
|---|
| Smiles | C=CC=O.O=S(=O)([O-])CCS.[Na+] |
|---|
| Inchi | InChI=1S/C3H4O.C2H6O3S2.Na/c1-2-3-4;3-7(4,5)2-1-6;/h2-3H,1H2;6H,1-2H2,(H,3,4,5);/q;;+1/p-1 |
|---|
| Inchi Key | JWWJTKYZWLPVTR-UHFFFAOYSA-M |
|---|
| Molecular Species | None |
|---|
| Targets | 1.0 |
|---|
| Bioactivities | 1.0 |
|---|
| Np Likeness Score | None |
|---|
| Records Key | ['Acrolein + Mesna'] |
|---|
| Records Name | ['sodium 2-mercaptoethanesulfonate compound with acrylaldehyde (1:1) (Acrolein + Mesna)'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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