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CHEMISTRY
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ACTIVE PHARMA INGREDIENTS

5 API Suppliers, 5 JDMF

5 API Suppliers
5 JDMF

FINISHED DOSAGE FORMULATIONS

15 FDF Dossiers, 15 Canada

15 FDF Dossiers
15 Canada

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

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Also known as: 195833-46-6, Lipase substrate chromogenic, Dtxsid90583514, Lipase substrate, >=95% (hplc)

Molecular Formula

C₄₅H₆₉NO₈

Molecular Weight

752.0 g/mol

InChI Key

FYOMYGYHAZESGQ-UHFFFAOYSA-N

1 2D Structure

Lipase Substrate

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-O-(2,3-didodecoxypropyl) 5-O-(6-methyl-7-oxophenoxazin-3-yl) pentanedioate

2.1.2 InChI

InChI=1S/C45H69NO8/c1-4-6-8-10-12-14-16-18-20-22-31-50-34-38(51-32-23-21-19-17-15-13-11-9-7-5-2)35-52-43(48)25-24-26-44(49)53-37-27-28-39-42(33-37)54-45-36(3)41(47)30-29-40(45)46-39/h27-30,33,38H,4-26,31-32,34-35H2,1-3H3

2.1.3 InChI Key

FYOMYGYHAZESGQ-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CCCCCCCCCCCCOCC(COC(=O)CCCC(=O)OC1=CC2=C(C=C1)N=C3C=CC(=O)C(=C3O2)C)OCCCCCCCCCCCC

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 195833-46-6

2. Lipase Substrate Chromogenic

3. Dtxsid90583514

4. Lipase Substrate, >=95% (hplc)

2.3 Create Date

2007-07-12

3 Chemical and Physical Properties

Molecular Formula	C₄₅H₆₉NO₈
Molecular Weight	752.0 g/mol
XLogP3	12.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	34
Exact Mass	751.50231816 g/mol
Monoisotopic Mass	751.50231816 g/mol
Topological Polar Surface Area	110 Å²
Heavy Atom Count	54
Formal Charge	0
Complexity	1160
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1