Seqens is an integrated global leader in pharmaceutical solutions & specialty ingredients & provides custom-made solutions.

Virtual Booth

Contact Supplier

AbbVie CDMO has been working with global companies to develop, manufacture & scale biopharmaceutical products.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

FINISHED DOSAGE FORMULATIONS

1 FDF Dossiers, 1 FDA Orange Book

1 FDF Dossiers
1 FDA Orange Book

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

API REF. PRICE (USD/KG)

$ 0

MARKET PLACE

API

FDF

0INTERMEDIATES

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

0 DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Finished Drug Prices

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Undecoylium chloride-iodine, 1338-54-1, Unii-o4cek7fp0d, O4cek7fp0d, Undecoylium chloride iodine, Db09377

Molecular Formula

C₁₂H₁₇ClN₂O₃

Molecular Weight

272.73 g/mol

InChI Key

OSCJJMKLQGAGML-UHFFFAOYSA-N

1 2D Structure

Emulsept

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-[(2-pyridin-1-ium-1-ylacetyl)amino]ethyl propanoate;chloride

2.1.2 InChI

InChI=1S/C12H16N2O3.ClH/c1-2-12(16)17-9-6-13-11(15)10-14-7-4-3-5-8-14;/h3-5,7-8H,2,6,9-10H2,1H3;1H

2.1.3 InChI Key

OSCJJMKLQGAGML-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCC(=O)OCCNC(=O)C[N+]1=CC=CC=C1.[Cl-]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Undecoylium Chloride-iodine

2. 1338-54-1

3. Unii-o4cek7fp0d

4. O4cek7fp0d

5. Undecoylium Chloride Iodine

6. Db09377

7. Undecoylium Chloride Complex With Iodine

8. Undecoylium Chloride Iodine Complex

2.3 Create Date

2005-08-08

3 Chemical and Physical Properties

Molecular Formula	C₁₂H₁₇ClN₂O₃
Molecular Weight	272.73 g/mol
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	7
Exact Mass	272.0927701 g/mol
Monoisotopic Mass	272.0927701 g/mol
Topological Polar Surface Area	59.3 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	250
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	2