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Crofelemer
Also known as: 148465-45-6, Cid 17397714, Zinc9497828, Akos016487279, Z164754034, 923916-82-9
Molecular Formula
C18H16N2O3
Molecular Weight
308.3  g/mol
InChI Key
JDNAIBCYTQGWFC-UHFFFAOYSA-N

1 2D Structure

Crofelemer

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
N-[(2-methoxyphenyl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
2.1.2 InChI
InChI=1S/C18H16N2O3/c1-22-16-10-6-5-9-14(16)12-19-18(21)15-11-17(23-20-15)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,19,21)
2.1.3 InChI Key
JDNAIBCYTQGWFC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
COC1=CC=CC=C1CNC(=O)C2=NOC(=C2)C3=CC=CC=C3
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. 148465-45-6

2. Cid 17397714

3. Zinc9497828

4. Akos016487279

5. Z164754034

6. 923916-82-9

2.3 Create Date
2007-11-13
3 Chemical and Physical Properties
Molecular Weight 308.3 g/mol
Molecular Formula C18H16N2O3
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass308.11609238 g/mol
Monoisotopic Mass308.11609238 g/mol
Topological Polar Surface Area64.4 Ų
Heavy Atom Count23
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count1
4 Drug and Medication Information
4.1 Drug Information
1 of 1  
Drug NameMYTESI
Active IngredientCROFELEMER
CompanyNAPO PHARMS INC (Application Number: N202292. Patents: 7323195, 7341744, 8574634, 8962680, 9585868)

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