Basic information
- CAS
76823-79-5- Standard SMILES
CCC(C(=O)OCCOCCN1CCN(C(c2ccccc2)c2ccc(Cl)cc2)CC1)c1cccc(C(=O)c2ccccc2)c1.Cl.Cl- InChIKey
ZMWCQDOIVOURKJ-UHFFFAOYSA-N- Molecular formula
- C38H43Cl3N2O4
- Average molar mass
- 698.1 g/mol
- Monoisotopic mass
- 696.228841
Names & identifiers
- Preferred name
- 2-[2-[4-[(4-Chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride
- IUPAC
- 2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butanoate;dihydrochloride
- English name
- 2-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride
- Molecular formula
- C38H43Cl3N2O4
- Molecular weight
- 698.11802
Names & synonyms
76823-79-5EINECS 278-556-02-[2-[4-[(4-chlorophenyl)benzyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butyrate dihydrochloride2-(2-(4-((4-Chlorophenyl)benzyl)piperazin-1-yl)ethoxy)ethyl 2-(3-benzoylphenyl)butyrate dihydrochlorideDTXSID10998146ZMWCQDOIVOURKJ-UHFFFAOYSA-N2-(2-{4-[(4-Chlorophenyl)(phenyl)methyl]piperazin-1-yl}ethoxy)ethyl 2-(3-benzoylphenyl)butanoate--hydrogen chloride (1/2)2-[2-[4-[(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]ethoxy]ethyl 2-(3-benzoylphenyl)butanoate
Database identifiers
- CAS
76823-79-5- PubChem CID
- 3018680
- DTXSID
DTXSID10998146- EC Number
- 278-556-0
Properties
Computed structural properties
- Topological polar surface area
- 59.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 15
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 875
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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