Cas no 35898-87-4 (Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester)

Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester structure
35898-87-4 structure
Product Name:Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester
CAS No:35898-87-4
MF:C31H44N2O10
MW:604.68846988678
CID:305692
PubChem ID:3074
Update Time:2025-04-19

Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester
    • 3-[4-[3-(3,4,5-trimethoxybenzoyl)oxypropyl]-1,4-diazepan-1-yl]propyl 3,4,5-trimethoxybenzoate
    • DILAZEP
    • Dilazep dihydrochloride
    • Biopropazepam
    • Cormelian
    • Labitan
    • DTXCID7025425
    • Tox21_110588_1
    • Dilazepam
    • Tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanol 3,4,5-trimethoxybenzoate (diester)
    • BRD-K48722258-300-03-7
    • Lopac0_000369
    • CHEMBL126075
    • BRD-K48722258-300-07-8
    • 20153-98-4
    • 3,4,5-trimethoxybenzoic acid 3-[4-[3-[oxo-(3,4,5-trimethoxyphenyl)methoxy]propyl]-1,4-diazepan-1-yl]propyl ester
    • CAS-20153-98-4
    • Dilazepam [INN-Spanish]
    • (1,4-diazepane-1,4-diyl)di(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
    • 3,3'-(1,4-diazepane-1,4-diyl)bis(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
    • Dilazep [INN]
    • Tocris-0481
    • 3-{4-[3-(3,4,5-trimethoxybenzoyloxy)propyl]-1,4-diazepan-1-yl}propyl 3,4,5-trimethoxybenzoate
    • NCGC00024610-02
    • Benzoic acid, 3,4,5-trimethoxy-,(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl ester
    • Dilazepum [INN-Latin]
    • UNII-F8KLC2BD5Z
    • SCHEMBL48830
    • BRD-K48722258-003-04-5
    • (1,4-Diazepane-1,4-diyl)bis(propane-3,1-diyl) bis(3,4,5-trimethoxybenzoate)
    • Prestwick1_000236
    • CHEBI:92842
    • Prestwick0_000236
    • NS00004756
    • SPBio_002232
    • 8DZ
    • Tox21_110588
    • DB13715
    • BSPBio_000311
    • 35898-87-4
    • NCGC00016747-05
    • Prestwick3_000236
    • Dilazep (INN)
    • Prestwick2_000236
    • 1,4-Bis(3,4,5-trimethoxybenzyloxy)propyl)perhydro-1,4-diazepin
    • KI 2119
    • BDBM50017691
    • GLXC-25687
    • NCGC00016747-03
    • 3,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat)
    • BRD-K48722258-300-05-2
    • NCGC00016747-01
    • Dilazepum
    • F8KLC2BD5Z
    • Benzoic acid, 3,4,5-trimethoxy-, (tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl ester
    • D07843
    • DILAZEP [WHO-DD]
    • SR-01000075817-3
    • NCGC00016747-04
    • DTXSID9045425
    • NCGC00024610-01
    • HMS2090A11
    • BPBio1_000343
    • NCGC00016747-07
    • Q5276700
    • CAS-35898-87-4
    • GTPL4717
    • 3,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat) [IUPAC]
    • DILAZEP [MI]
    • NCGC00016747-02
    • C01DX10
    • N,N'-bis[3-(3,4,5-trimethoxybenzoyloxy)propyl]homopiperazine
    • N,N'-bis(3-(3,4,5-trimethoxybenzoyloxy)propyl)homopiperazine
    • Dilazepam (INN-Spanish)
    • 1,4-diazepane-1,4-diyldipropane-3,1-diyl bis(3,4,5-trimethoxybenzoate)
    • tetrahydro-1H-1,4-diazepine-1,4(5H)-dipropanediyl-3,4,5-trimethoxybenzoate
    • Biopropazepan Trimethoxybenzoate
    • 3,3'-(1,4-Diazepan-1,4-diyl)dipropyl bis(3,4,5-trimethoxybenzoat) (IUPAC)
    • 3-(4-(3-(3,4,5-trimethoxybenzoyloxy)propyl)-1,4-diazepan-1-yl)propyl 3,4,5-trimethoxybenzoate
    • BRD-K48722258-300-11-0
    • Trimethoxybenzoate, Biopropazepan
    • Dilazepum (INN-Latin)
    • BRD-K48722258-300-10-2
    • Inchi： 1S/C31H44N2O10/c1-36-24-18-22(19-25(37-2)28(24)40-5)30(34)42-16-8-12-32-10-7-11-33(15-14-32)13-9-17-43-31(35)23-20-26(38-3)29(41-6)27(21-23)39-4/h18-21H,7-17H2,1-6H3
    • InChI Key： QVZCXCJXTMIDME-UHFFFAOYSA-N
    • SMILES： O(C(C1C=C(C(=C(C=1)OC)OC)OC)=O)CCCN1CCCN(CCCOC(C2C=C(C(=C(C=2)OC)OC)OC)=O)CC1

Computed Properties

  • Exact Mass: 604.30000
  • Monoisotopic Mass: 604.3
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 43
  • Rotatable Bond Count: 18
  • Complexity: 727
  • 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
  • Topological Polar Surface Area: 115A^2
  • XLogP3: 4.1

Experimental Properties

  • Density: 1.156
  • Boiling Point: 646°Cat760mmHg
  • Flash Point: 344.5°C
  • Solubility: H2O: 10?mg/mL
  • PSA: 114.46000
  • LogP: 3.41570

Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester Security Information

  • WGK Germany：2
  • Hazard Category Code： 36/37/38
  • Safety Instruction： S26; S36
  • RTECS：DI0250000
  • Hazardous Material Identification： Xi
  • Storage Condition：2-8°C
  • Risk Phrases：R36/37/38

Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester Related Literature

Related Categories

35898-87-4 (Benzoic acid,3,4,5-trimethoxy-,1,1'-[(tetrahydro-1H-1,4-diazepine-1,4(5H)-diyl)di-3,1-propanediyl] ester) Related Products

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