3-Carboxamido coumarin, 21
Modify Date: 2026-05-16 17:14:26
3-Carboxamido coumarin, 21 structure
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Common Name | 3-Carboxamido coumarin, 21 | ||
|---|---|---|---|---|
| CAS Number | 1136858-52-0 | Molecular Weight | 343.4 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C17H13NO5S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-Carboxamido coumarin, 21 |
|---|
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Molecular Formula | C17H13NO5S |
|---|---|
| Molecular Weight | 343.4 |
| InChIKey | QJBHODZBXYTRMA-UHFFFAOYSA-N |
| SMILES | CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: MAO Enzyme Inhibition Assay from Article 10.1021/jm801496u: "Synthesis, molecular mod...
Source: BindingDB
Target: N/A
External Id: BindingDB_3190_1
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Name: Selectivity index, ratio of IC50 for human recombinant MAOA to IC50 for human recombi...
Source: ChEMBL
Target: N/A
External Id: CHEMBL964046
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Name: Inhibition of human recombinant MAOA expressed in BTI-TN-5B1-4 cells assessed as effe...
Source: ChEMBL
Target: Amine oxidase [flavin-containing] A
External Id: CHEMBL964041
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Name: Inhibition of human recombinant MAOB expressed in BTI-TN-5B1-4 cells assessed as effe...
Source: ChEMBL
Target: Amine oxidase [flavin-containing] B
External Id: CHEMBL964042
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This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the molecular weight of 3-Carboxamido coumarin, 21? |
| A: Molecular weight of 3-Carboxamido coumarin, 21 is 343.4. |
| Q: What is the InChIKey of 3-Carboxamido coumarin, 21? |
| A: InChIKey of 3-Carboxamido coumarin, 21 is QJBHODZBXYTRMA-UHFFFAOYSA-N. |
| Q: What is the molecular formula of 3-Carboxamido coumarin, 21? |
| A: Molecular formula of 3-Carboxamido coumarin, 21 is C17H13NO5S. |
| Q: What is the CAS number of 3-Carboxamido coumarin, 21? |
| A: CAS number of 3-Carboxamido coumarin, 21 is 1136858-52-0. |
| Q: What is the Chinese name of 1136858-52-0? |
| A: Chinese name of 1136858-52-0 is 1136858-52-0. |
| Q: What is the English name of 3-Carboxamido coumarin, 21? |
| A: The English name of 3-Carboxamido coumarin, 21 is 3-Carboxamido coumarin, 21. |
| Q: What is the SMILES notation of 3-Carboxamido coumarin, 21? |
| A: SMILES notation of 3-Carboxamido coumarin, 21 is CS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3OC2=O. |