Cas no 54-03-5 (Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester)

Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester structure
54-03-5 structure
Product Name:Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester
CAS No:54-03-5
MF:C30H44N2O10
MW:592.67776966095
MDL:MFCD00868307
CID:367873
PubChem ID:5777
Update Time:2025-04-19

Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester
    • Hexabendin
    • Hexabendine
    • Hexobendin
    • Ditrymine
    • Hexobendinum [INN-Latin]
    • HEXOBENDINE [MI]
    • (Ethane-1,2-diylbis(methylazanediyl))bis(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
    • Benzoic acid, 3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]] ester
    • Ditrimin
    • SCHEMBL125629
    • EINECS 200-189-1
    • 3-[methyl(2-{methyl[3-(3,4,5-trimethoxybenzoyloxy)propyl]amino}ethyl)amino]propyl 3,4,5-trimethoxybenzoate
    • BDBM50225480
    • DTXSID20202302
    • NS00007037
    • Q12745373
    • Hexobendine (USAN/INN)
    • D04438
    • 3-(Methyl[2-(methyl(3-[(3,4,5-trimethoxybenzoyl)oxy]propyl)amino)ethyl]amino)propyl 3,4,5-trimethoxybenzoate #
    • CHEBI:135843
    • UNII-B6X4SYR93B
    • 3-[methyl-[2-[methyl-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]amino]ethyl]amino]propyl 3,4,5-trimethoxybenzoate
    • 4,7-Dimethyl-4,7-diazadecamethylenbis(3,4,5-trimethoxybenzoat)
    • EN300-19767883
    • Benzoic acid, 3,4,5-trimethoxy-, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol
    • Hexobendina [INN-Spanish]
    • 3,4,5-Trimethoxybenzoic acid, diester with 3,3'-[ethylenebis(methylimino)]di-1-propanol
    • Ditrimine
    • BRN 2200156
    • ST 7090
    • DB13265
    • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis((methylimino)-3,1-propanediyl) ester
    • BRD-K23741141-003-01-1
    • HEXOBENDINE [INN]
    • Benzoic acid, 3,4,5-trimethoxy-, 1,2-ethanediylbis[(methylimino)-3,1-propanediyl] ester
    • CHEMBL127300
    • BRD-K23741141-003-02-9
    • B6X4SYR93B
    • 3,4,5-Trimethoxybenzoic acid, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol
    • Ustimon
    • 3,3'-(Ethylenebis(methylimino))di-1-propanol 3,4,5-trimethoxybenzoate diester
    • HEXOBENDINE [MART.]
    • HEXOBENDINE [WHO-DD]
    • KRQAMFQCSAJCRH-UHFFFAOYSA-N
    • Hexobendine [USAN:INN:BAN]
    • Hexobendine
    • Hexobendina
    • Hexobendinum
    • 54-03-5
    • HEXOBENDINE [USAN]
    • MDL： MFCD00868307
    • Inchi： 1S/C30H44N2O10/c1-31(11-9-15-41-29(33)21-17-23(35-3)27(39-7)24(18-21)36-4)13-14-32(2)12-10-16-42-30(34)22-19-25(37-5)28(40-8)26(20-22)38-6/h17-20H,9-16H2,1-8H3
    • InChI Key： KRQAMFQCSAJCRH-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C(=C(C=1)OC)OC)OC)=O)CCCN(C)CCN(C)CCCOC(C1C=C(C(=C(C=1)OC)OC)OC)=O

Computed Properties

  • Exact Mass: 592.30000
  • Monoisotopic Mass: 592.29959560g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 42
  • Rotatable Bond Count: 21
  • Complexity: 684
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.9
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • Melting Point: 75-77°
  • PSA: 114.46000
  • LogP: 3.39580

Benzoic acid,3,4,5-trimethoxy-, 1,1'-[1,2-ethanediylbis[(methylimino)-3,1-propanediyl]]ester Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-19767883-0.05g
54-03-5
0.05g
 $2755.0 2023-09-16

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