Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Virtual Booth

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 2 CEP/COS, 1 Listed Suppliers

3 API Suppliers
2 CEP/COS
1 Listed Suppliers

MARKET PLACE

2 APIs

marketPlace
2 APIs

REF. STANDARDS & IMPURITIES

2 EDQM , 3 USP

otherSolutions
2 EDQM
3 USP

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

C₂₀H₂₂N₄O₆S

Molecular Weight

446.5 g/mol

InChI Key

HMCCXLBXIJMERM-UHFFFAOYSA-N

1 2D Structure

AC-424

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

methyl (NE)-N-[[2-[(2-methoxyacetyl)amino]-4-phenylsulfanylanilino]-(methoxycarbonylamino)methylidene]carbamate

2.1.2 InChI

InChI=1S/C20H22N4O6S/c1-28-12-17(25)21-16-11-14(31-13-7-5-4-6-8-13)9-10-15(16)22-18(23-19(26)29-2)24-20(27)30-3/h4-11H,12H2,1-3H3,(H,21,25)(H2,22,23,24,26,27)

2.1.3 InChI Key

HMCCXLBXIJMERM-UHFFFAOYSA-N

2.1.4 Canonical SMILES

COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)NC(=NC(=O)OC)NC(=O)OC

2.1.5 Isomeric SMILES

COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)N/C(=N\C(=O)OC)/NC(=O)OC

2.2 Create Date

2006-10-24

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₂N₄O₆S
Molecular Weight	446.5 g/mol
XLogP3	3.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	10
Exact Mass	446.12600561 g/mol
Monoisotopic Mass	446.12600561 g/mol
Topological Polar Surface Area	153 A^2
Heavy Atom Count	31
Formal Charge	0
Complexity	641
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1