Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-
Basic information
- CAS
57228-15-6- Standard SMILES
CCCCN(CCCC)C(=O)C(Cc1ccc(OCCCN2CCN(C)CC2)cc1)NC(=O)c1ccccc1Cl.O=C(O)CC(O)(CC(=O)O)C(=O)O- InChIKey
WBRXRUGEXIERBE-UHFFFAOYSA-N- Molecular formula
- C38H55ClN4O10
- Average molar mass
- 763.3 g/mol
- Monoisotopic mass
- 762.3606717
Names & identifiers
- Preferred name
- Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-
- IUPAC
- 2-chloro-N-[1-(dibutylamino)-3-[4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl]-1-oxopropan-2-yl]benzamide;2-hydroxypropane-1,2,3-tricarboxylic acid
Names & synonyms
CR 73157228-15-6Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(o-chlorobenzoyl)-DL-tyrosyl-di-n-butylamide citrateRefChem:348264DTXSID809727162-Hydroxypropane-1,2,3-tricarboxylic acid--2-chloro-N-[1-(dibutylamino)-3-{4-[3-(4-methylpiperazin-1-yl)propoxy]phenyl}-1-oxopropan-2-yl]benzene-1-carboximidic acid (1/1)
Database identifiers
- CAS
57228-15-6- PubChem CID
- 42217
- DTXSID
DTXSID80972716
Properties
Computed structural properties
- Topological polar surface area
- 197 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 21
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 944
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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