ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

1 API Suppliers, 1 USDMF

1 API Suppliers
1 USDMF

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:

Molecular Formula

C₂₂H₃₅IO₂

Molecular Weight

454.4 g/mol

InChI Key

NPCIWINHUDIWAV-YMBCQFKGSA-N

1 2D Structure

Iodofiltic Acid

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(3R)-15-(4-(123I)iodanylphenyl)-3-methylpentadecanoic acid

2.1.2 InChI

InChI=1S/C22H35IO2/c1-19(18-22(24)25)12-10-8-6-4-2-3-5-7-9-11-13-20-14-16-21(23)17-15-20/h14-17,19H,2-13,18H2,1H3,(H,24,25)/t19-/m1/s1/i23-4

2.1.3 InChI Key

NPCIWINHUDIWAV-YMBCQFKGSA-N

2.1.4 Canonical SMILES

CC(CCCCCCCCCCCCC1=CC=C(C=C1)I)CC(=O)O

2.1.5 Isomeric SMILES

C[C@H](CCCCCCCCCCCCC1=CC=C(C=C1)[123I])CC(=O)O

2.2 Create Date

2013-02-04

3 Chemical and Physical Properties

Molecular Formula	C₂₂H₃₅IO₂
Molecular Weight	454.4 g/mol
XLogP3	9.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	15
Exact Mass	454.16930 g/mol
Monoisotopic Mass	454.16930 g/mol
Topological Polar Surface Area	37.3 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	324
Isotope Atom Count	1
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1