2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) | CAS No. 34140-59-5

2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1)

Basic Information

CAS Number

34140-59-5

Molecular Formula

C26H33NO9

Molecular Weight

503.55 g/mol

AD

Basic Physical Properties

Melting Point

131-134°C

CCC(COC(=O)C1=CC(=C(C(=C1)OC)OC)OC)(C2=CC=CC=C2)N(C)C.C(=CC(=O)O)C(=O)O

InChI

InChI=1S/C22H29NO5.C4H4O4/c1-7-22(23(2)3,17-11-9-8-10-12-17)15-28-21(24)16-13-18(25-4)20(27-6)19(14-16)26-5;5-3(6)1-2-4(7)8/h8-14H,7,15H2,1-6H3;1-2H,(H,5,6)(H,7,8)/b;2-1-

InChIKey

FSRLGULMGJGKGI-BTJKTKAUSA-N

LogP

3.448100000000003

Topological Polar Surface Area

131.82999999999998 Ų

Hydrogen Bond Donor/Acceptor

2 / 10

Complexity

585

Safety Information

View Safety Information

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral
H315 Causes skin irritation
Skin corrosion/irritation
H319 Causes serious eye irritation
Serious eye damage/eye irritation
H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

  • HMS2236J08
  • NCGC00018269-05
  • SMR000058893
  • (1-Ethyl-1-phenyl-2-(3,4,5-trimethoxybenzoyloxy)ethyl)dimethylammonium hydrogen maleate
  • Trimebutine maleate, (-)-
  • AKOS015963753
  • TRIMEBUTINE MALEATE [MART.]
  • Dromostat
  • SR-01000003154-5
  • Pharmakon1600-01505011
  • NCGC00096059-01
  • Trimebutine maleate, European Pharmacopoeia (EP) Reference Standard
  • NSC758900
  • UNII-2A051GM4YM
  • EINECS 261-549-1
  • MLS000028659
  • CAS-34140-59-5
  • (Z)-but-2-enedioic acid;[2-(dimethylamino)-2-phenylbutyl] 3,4,5-trimethoxybenzoate
  • CHEBI:32261
  • Trimebutine maleate salt, analytical standard
  • Opera_ID_1549
  • 3,4,5-Trimethoxybenzoic Acid 2-(Dimethylamino)-2-phenylbutyl Ester Maleate Salt
  • Trimebutine maleate salt
  • Cerekinon
  • BENZOIC ACID, 3,4,5-TRIMETHOXY-, 2-(DIMETHYLAMINO)-2-PHENYLBUTYL ESTER, (+)-, (Z)-2-BUTENEDIOATE
  • D01500
  • TM 906
  • NSC 758900
  • 34140-59-5
  • Tox21_111554
  • Trimebutine for system suitability

MDL Number

MFCD00133874

Customs Code

2922199090

FAQ

What is 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) (CAS: 34140-59-5)?

2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) is a complex organic compound with a molecular structure that includes a phenyl group, a butyl group with a dimethylamino substituent, and a 3,4,5-trimethoxybenzoate group, along with a (2Z)-2-butenedioate moiety. This compound is often used in pharmaceutical and chemical research due to its unique chemical properties.

What are the main uses of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) (CAS: 34140-59-5)?

2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) is primarily used in pharmaceutical research for its potential in developing new drug candidates. It may also have applications in chemical synthesis as a versatile building block for organic compounds.

Is 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) (CAS: 34140-59-5) safe?

The safety of 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) depends on the handling conditions. It is important to follow safety guidelines such as wearing appropriate personal protective equipment (PPE) and ensuring proper ventilation. While it is not inherently toxic, direct contact or inhalation should be avoided. Compliance with safety standards and regulations is crucial.

How should 2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) (CAS: 34140-59-5) be stored?

2-(Dimethylamino)-2-phenylbutyl 3,4,5-trimethoxybenzoate (2Z)-2-butenedioate (1:1) should be stored in a cool, dry place away from direct sunlight and heat sources to maintain its stability. It should be kept in a tightly sealed container to prevent degradation and contamination. Optimal storage conditions are below 25°C and with low humidity to ensure the compound remains stable and usable.

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