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Evonik Evonik

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Technical details about Bevacizumab+Rituximab, learn more about the structure, uses, toxicity, action, side effects and more

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2D Structure
1. Also known as:
Molecular Formula
C14H18ILiN2O3
Molecular Weight
396.2  g/mol
InChI Key
CNMYRBKJCDLCHB-UHFFFAOYSA-M

1 2D Structure

2D Structure

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
lithium;4-[2-(diethylamino)ethylcarbamoyl]-2-iodobenzoate
2.1.2 InChI
InChI=1S/C14H19IN2O3.Li/c1-3-17(4-2)8-7-16-13(18)10-5-6-11(14(19)20)12(15)9-10;/h5-6,9H,3-4,7-8H2,1-2H3,(H,16,18)(H,19,20);/q;+1/p-1
2.1.3 InChI Key
CNMYRBKJCDLCHB-UHFFFAOYSA-M
2.1.4 Canonical SMILES
[Li+].CCN(CC)CCNC(=O)C1=CC(=C(C=C1)C(=O)[O-])I
2.2 Create Date
2008-06-02
3 Chemical and Physical Properties
Molecular Weight 396.2 g/mol
Molecular Formula C14H18ILiN2O3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count7
Exact Mass396.05222 g/mol
Monoisotopic Mass396.05222 g/mol
Topological Polar Surface Area72.5 Ų
Heavy Atom Count21
Formal Charge0
Complexity340
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count2
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