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Benzoic acid, 3,4,5-trimethoxy-, 1-((methyl(phenylmethyl)amino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride

HCID 217592
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Basic information

CAS
38952-82-8
Standard SMILES
COc1cc(C(=O)OC(CN(C)Cc2ccccc2)Cn2ncc3c(OC)c(OC)c(OC)cc3c2=O)cc(OC)c1OC.Cl
InChIKey
NHFVHUSFSVMMSO-UHFFFAOYSA-N
Molecular formula
C32H38ClN3O9
Average molar mass
644.1 g/mol
Monoisotopic mass
643.2296575

Names & identifiers

Preferred name
Benzoic acid, 3,4,5-trimethoxy-, 1-((methyl(phenylmethyl)amino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride
IUPAC
[1-[benzyl(methyl)amino]-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate;hydrochloride

Names & synonyms

Benzoic acid, 3,4,5-trimethoxy-, 1-((methyl(phenylmethyl)amino)methyl)-2-(5,6,7-trimethoxy-1-oxo-2(1H)-phthalazinyl)ethyl ester, monohydrochloride38952-82-8RefChem:326993DTXSID309597941-[Benzyl(methyl)amino]-3-(5,6,7-trimethoxy-1-oxophthalazin-2(1H)-yl)propan-2-yl 3,4,5-trimethoxybenzoate--hydrogen chloride (1/1)

Database identifiers

CAS
38952-82-8
PubChem CID
217592
DTXSID
DTXSID30959794

Properties

Computed structural properties

Topological polar surface area
118 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
11
Rotatable bonds
15
Heavy atoms
45
Formal charge
0
Complexity
934

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