Cas no 1329834-94-7 (N-Benzyl N-Demethyl Trimebutine)

N-Benzyl N-Demethyl Trimebutine structure
1329834-94-7 structure
Product Name:N-Benzyl N-Demethyl Trimebutine
CAS No:1329834-94-7
MF:C28H33NO5
MW:463.565328359604
CID:1065356
PubChem ID:71313799
Update Time:2025-04-20

N-Benzyl N-Demethyl Trimebutine Chemical and Physical Properties

Names and Identifiers

    • N-Benzyl N-Demethyl Trimebutine
    • 3,4,5-Trimethoxybenzoic Acid 2-(N-Benzyl-methylamino)-2-phenylbutyl Ester;N-Benzyl N-Monodesmethyltrimebutine;
    • [2-[benzyl(methyl)amino]-2-phenylbutyl] 3,4,5-trimethoxybenzoate
    • 1329834-94-7
    • Inchi: 1S/C28H33NO5/c1-6-28(23-15-11-8-12-16-23,29(2)19-21-13-9-7-10-14-21)20-34-27(30)22-17-24(31-3)26(33-5)25(18-22)32-4/h7-18H,6,19-20H2,1-5H3
    • InChI Key: FTABTAJMFUXTFE-UHFFFAOYSA-N
    • SMILES: O(C(C1C=C(C(=C(C=1)OC)OC)OC)=O)CC(C1C=CC=CC=1)(CC)N(C)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 463.23587315g/mol
  • Monoisotopic Mass: 463.23587315g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 34
  • Rotatable Bond Count: 12
  • Complexity: 590
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.5
  • Topological Polar Surface Area: 57.2?2

Experimental Properties

  • Melting Point: 120-122°C
  • Solubility: Chloroform, DMSO, Ethyl Acetate

N-Benzyl N-Demethyl Trimebutine Security Information

  • Storage Condition:Refrigerator

N-Benzyl N-Demethyl Trimebutine Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
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$ 150.00 2023-04-18
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$ 1160.00 2023-04-18
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$248.33 2023-01-05
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$807.05 2023-01-05
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$1,291.30 2023-01-05
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SHENG KE LU SI SHENG WU JI SHU
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