 Home > Encyclopedia > 2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide

2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide

2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide structure

CAS No:
144108-31-6
Formula:
C33H59IN2O
Chemical Name:
2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide
Synonyms:
cholesteryl-3beta-carboxyamidoethylene-trimethylammonium iodide;N,N,N-trimethyl-N'-cholesteryl amidoethyl ammonium;N,N,N-trimethyl-N'-cholesteryl amidoethyl ammonium iodide;TMC-AEA;Tmc-aea;144108-31-6;Cholesteryl-3beta-carboxyamidoethylene-trimethylammonium iodide;N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium;N,N,N-Trimethyl-N'-cholesteryl amidoethyl ammonium iodide;2-((((3beta)-Cholest-5-en-3-yl)carbonyl)amino)-N,N,N-trimethylethanaminium iodide;Ethanaminium, 2-((((3beta)-cholest-5-en-3-yl)carbonyl)amino)-N,N,N-trimethyl-, iodide

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2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide Basic Attributes

Molecular Weight：

626.7 g/mol

Exact Mass：

626.36721 g/mol

Characteristics

PSA：

29.1 Å²

Drug Information

MeSH Entry Terms：

cholesteryl-3beta-carboxyamidoethylene-trimethylammonium iodide

Computed Properties

Molecular Weight:626.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:9
Exact Mass:626.36721
Monoisotopic Mass:626.36721
Topological Polar Surface Area:29.1
Heavy Atom Count:37
Complexity:809
Defined Atom Stereocenter Count:5
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[[(3S,10R,13R,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3-carbonyl]amino]ethyl-trimethylazanium;iodide

Basic Attributes
Characteristics
Drug Information
Computed Properties

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