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
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![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 structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/dc0d4ff5786e46aaa0c257688dfbcaa2.png "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")
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
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CAS No:
57228-15-6
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Formula:
C38H55ClN4O10
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Chemical Name:
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
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Synonyms:
57228-15-6;CR 731;O-(3-(N''-Methylpiperazine)-N'-propyl)-N-(o-chlorobenzoyl)-DL-tyrosyl-di-n-butylamide citrate;Hydrocinnamamide, alpha-((o-chlorobenzoyl)amino)-N,N-dibutyl-4-(3-(4-methyl-1-piperazinyl)propoxy)-, citrate, (+-)-;DTXSID80972716;2-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)
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CAS No:
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 Basic Attributes
763.3 g/mol
762.3606717 g/mol
Computed Properties
Molecular Weight:763.3
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:21
Exact Mass:762.3606717
Monoisotopic Mass:762.3606717
Topological Polar Surface Area:197
Heavy Atom Count:53
Complexity:944
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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