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Basic information
- CAS
894776-23-9- Standard SMILES
CC1(C)CC(c2ccccc2N2CCN(CC3CC3)CC2)CC(C)(C)C1.CS(=O)(=O)O- InChIKey
AEHZBEGUMKAEQG-UHFFFAOYSA-N- Molecular formula
- C25H42N2O3S
- Average molar mass
- 450.7 g/mol
- Monoisotopic mass
- 450.29161438
Names & identifiers
- Preferred name
- Milategrast mesylate
- IUPAC
- 1-(cyclopropylmethyl)-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine;methanesulfonic acid
Names & synonyms
Milategrast mesylate8W7OKS3WDNUNII-8W7OKS3WDN894776-23-9SCHEMBL1449825AEHZBEGUMKAEQG-UHFFFAOYSA-N1-Cyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine methanesulfonateCyclopropylmethyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine methanesulfonate
Database identifiers
- CAS
894776-23-9- PubChem CID
- 11633798
- UNII
- 8W7OKS3WDN
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 69.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 547
Related reactions
4 records
Compound notes
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