Basic information
- Standard SMILES
COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc(-c2ncccn2)nc1OCCO.[Ca]- InChIKey
JDCAUKCKRVJECY-UHFFFAOYSA-N- Molecular formula
- C27H29CaN5O6S
- Average molar mass
- 591.7 g/mol
Names & identifiers
- Preferred name
- Bosentan Calcium
Names & synonyms
Bosentan CalciumJDCAUKCKRVJECY-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 66865255
Properties
Computed structural properties
- Topological polar surface area
- 154 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 11
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 839
Related reactions
1 records
Compound notes
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