HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 88231069Generated: October 27, 2026
2-[5-(2,6-Dimethoxyphenyl)-1-[4-[N-methyl-N-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl]-3-pyrazolylcarbonylamino]-2-adamantanecarboxylic acid edisylate
https://huagongshe.com/en/chemical/88231069
Identifiers & Physical Properties
| Molecular formula | C41H57N5O12S2 |
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| Average molar mass | 876.1 g/mol |
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| Monoisotopic mass | 875.34451462 g/mol |
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| SMILES | COc1cccc(OC)c1-c1cc(C(=O)NC2(C(=O)O)C3CC4CC(C3)CC2C4)nn1-c1ccc(C(=O)N(C)CCCN(C)C)cc1C(C)C.O=S(=O)(O)CCS(=O)(=O)O |
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| InChIKey | VGDMOYSUKYJGTC-UHFFFAOYSA-N |
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| PubChem CID | 88231069 |
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Chemical & Physical Properties
| Topological polar surface area | 252 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 14 |
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| Rotatable bonds | 16 |
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| Heavy atoms | 60 |
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| Formal charge | 0 |
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| Complexity | 1,410 |
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![2-[5-(2,6-Dimethoxyphenyl)-1-[4-[N-methyl-N-(3-dimethylaminopropyl)carbamoyl]-2-isopropylphenyl]-3-pyrazolylcarbonylamino]-2-adamantanecarboxylic acid edisylate molecular structure](/img/chemical/88231069.png)