Interquim comes from an international group of 50 companies active in the pharma, hospital, diagnostics, fine chemicals & feed sectors.

Contact Supplier

Rusan Pharma: Over 30 years of specializing in the treatment of Addiction and Pain Management.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 3 USDMF

3 API Suppliers
3 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: 384835-54-5, Sodium;2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl [(2r)-2,3-di(hexadecanoyloxy)propyl] phosphate, Dtxsid20677177, 16:0 biotinyl pe, 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-n-(biotinyl) (sodium salt), powder

Molecular Formula

C₄₇H₈₇N₃NaO₁₀PS

Molecular Weight

940.2 g/mol

InChI Key

ZBLHTNMJPDLJFU-DISIHPEUSA-M

1 2D Structure

1 2-Dipalmitoyl-Sn-Glycero-3-Phosphoethanolamine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

sodium;2-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl [(2R)-2,3-di(hexadecanoyloxy)propyl] phosphate

2.1.2 InChI

InChI=1S/C47H88N3O10PS.Na/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-33-44(52)57-37-40(60-45(53)34-28-26-24-22-20-18-16-14-12-10-8-6-4-2)38-59-61(55,56)58-36-35-48-43(51)32-30-29-31-42-46-41(39-62-42)49-47(54)50-46;/h40-42,46H,3-39H2,1-2H3,(H,48,51)(H,55,56)(H2,49,50,54);/q;+1/p-1/t40-,41+,42+,46+;/m1./s1

2.1.3 InChI Key

ZBLHTNMJPDLJFU-DISIHPEUSA-M

2.1.4 Canonical SMILES

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCCNC(=O)CCCCC1C2C(CS1)NC(=O)N2)OC(=O)CCCCCCCCCCCCCCC.[Na+]

2.1.5 Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCCNC(=O)CCCC[C@H]1[C@@H]2[C@H](CS1)NC(=O)N2)OC(=O)CCCCCCCCCCCCCCC.[Na+]

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 384835-54-5

2. Sodium;2-[5-[(3as,4s,6ar)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethyl [(2r)-2,3-di(hexadecanoyloxy)propyl] Phosphate

3. Dtxsid20677177

4. 16:0 Biotinyl Pe, 1,2-dipalmitoyl-sn-glycero-3-phosphoethanolamine-n-(biotinyl) (sodium Salt), Powder

2.3 Create Date

2010-10-08

3 Chemical and Physical Properties

Molecular Formula	C₄₇H₈₇N₃NaO₁₀PS
Molecular Weight	940.2 g/mol
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	45
Exact Mass	939.57474843 g/mol
Monoisotopic Mass	939.57474843 g/mol
Topological Polar Surface Area	207 Å²
Heavy Atom Count	63
Formal Charge	0
Complexity	1240
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	2