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ACTIVE PHARMA INGREDIENTS

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1 DATA COMPILATION #PharmaFlow

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Chemistry

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Also known as: 33434-24-1, Ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride, Ethanaminium, n,n,n-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, chloride, polymer with ethyl 2-propenoate and methyl 2-methyl-2-propenoate, Poly(ethyl acrylate, methyl methacrylate, trimethylammonioethyl methacrylate chloride)

Molecular Formula

C₁₉H₃₄ClNO₆

Molecular Weight

407.9 g/mol

InChI Key

FSXVSUSRJXIJHB-UHFFFAOYSA-M

1 2D Structure

Eudragit Rs

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

ethyl prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride

2.1.2 InChI

InChI=1S/C9H18NO2.2C5H8O2.ClH/c1-8(2)9(11)12-7-6-10(3,4)5;1-4(2)5(6)7-3;1-3-5(6)7-4-2;/h1,6-7H2,2-5H3;1H2,2-3H3;3H,1,4H2,2H3;1H/q+1;;;/p-1

2.1.3 InChI Key

FSXVSUSRJXIJHB-UHFFFAOYSA-M

2.1.4 Canonical SMILES

CCOC(=O)C=C.CC(=C)C(=O)OC.CC(=C)C(=O)OCC[N+](C)(C)C.[Cl-]

2.2 Synonyms

2.2.1 MeSH Synonyms

1. Eudragit Rl 100

2. Eudragit Rl-100

3. Eudragit Rs 100

4. Eudragit Rs100

5. Eudragit Rs30d

2.2.2 Depositor-Supplied Synonyms

1. 33434-24-1

2. Ethyl Prop-2-enoate;methyl 2-methylprop-2-enoate;trimethyl-[2-(2-methylprop-2-enoyloxy)ethyl]azanium;chloride

3. Ethanaminium, N,n,n-trimethyl-2-[(2-methyl-1-oxo-2-propenyl)oxy]-, Chloride, Polymer With Ethyl 2-propenoate And Methyl 2-methyl-2-propenoate

4. Poly(ethyl Acrylate, Methyl Methacrylate, Trimethylammonioethyl Methacrylate Chloride)

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₃₄ClNO₆
Molecular Weight	407.9 g/mol
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	407.2074655 g/mol
Monoisotopic Mass	407.2074655 g/mol
Topological Polar Surface Area	78.9 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	350
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	4