Basic information
- CAS
1949-07-1- Standard SMILES
CN1CCN(C(=O)CC(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)CC1.Cl- InChIKey
WAHLMMKQTIGONH-UHFFFAOYSA-N- Molecular formula
- C26H26Cl4N2O
- Average molar mass
- 524.3 g/mol
- Monoisotopic mass
- 522.079924
Names & identifiers
- Preferred name
- Hetolin hydrochloride
- IUPAC
- 3,3,3-tris(4-chlorophenyl)-1-(4-methylpiperazin-1-yl)propan-1-one;hydrochloride
Names & synonyms
Hetolin hydrochlorideDicroden1949-07-1EINECS 217-758-581262DMK68UNII-81262DMK68DTXSID70173139HETOLIN HYDROCHLORIDE [MI]1-Methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)piperazine monohydrochloride1-(beta,beta,beta-Tris(p-chlorophenyl)propionyl)-4-methylpiperazine hydrochloridePiperazine, 1-methyl-4-(3,3,3-tris(p-chlorophenyl)propionyl)-, monohydrochloride1-METHYL-4-(3,3,3-TRIS(4-CHLOROPHENYL)-1-OXOPROPYL)PIPERAZINE HYDROCHLORIDE
Show more names
1-PROPANONE, 3,3,3-TRIS(4-CHLOROPHENYL)-1-(4-METHYL-1-PIPERAZINYL)-, HYDROCHLORIDE (1:1)RefChem:145878DTXCID9095630217-758-51-Methyl-4-(3,3,3-tris(4-chlorophenyl)propionyl)piperazinium chloride1-METHYL-4-[3,3,3-TRIS(4-CHLOROPHENYL)PROPIONYL]PIPERAZINIUM CHLORIDEWAHLMMKQTIGONH-UHFFFAOYSA-NQ27269196
Database identifiers
- CAS
1949-07-1- PubChem CID
- 74763
- DTXSID
DTXSID70173139- UNII
- 81262DMK68
- EC Number
- 217-758-5
Properties
Computed structural properties
- Topological polar surface area
- 23.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 33
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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