DRL offers a portfolio of products & services, including APIs, CMO services, generics, biosimilars & differentiated formulations.

Contact Supplier

Valsynthese, part of the SSE Group, is a CDMO focused on highly energetic and highly hazardous chemistry.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

ACTIVE PHARMA INGREDIENTS

3 API Suppliers, 2 USDMF, 5 KDMF, 1 Listed Suppliers

3 API Suppliers
2 USDMF
5 KDMF
1 Listed Suppliers

FINISHED DOSAGE FORMULATIONS

4 FDF Dossiers, 4 FDA Orange Book

4 FDF Dossiers
4 FDA Orange Book

DIGITAL CONTENT

1 DATA COMPILATION #PharmaFlow

media
1 DATA COMPILATION #PharmaFlow

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

C₄₃H₄₂O₂₂

Molecular Weight

910.8 g/mol

InChI Key

UZPQVEVQJJKELH-IRTWTMQLSA-N

1 2D Structure

Safflower Yellow

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(2S,6Z)-6-[[(3E,5R)-2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]methylidene]-2,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione

2.1.2 InChI

InChI=1S/C43H42O22/c44-14-24-30(52)32(54)34(56)40(64-24)42(62)36(58)20(28(50)26(38(42)60)22(48)11-5-16-1-7-18(46)8-2-16)13-21-29(51)27(23(49)12-6-17-3-9-19(47)10-4-17)39(61)43(63,37(21)59)41-35(57)33(55)31(53)25(15-45)65-41/h1-13,24-25,30-35,40-41,44-48,50-57,62-63H,14-15H2/b11-5+,12-6+,21-13-,26-22+/t24-,25-,30-,31-,32+,33+,34-,35-,40-,41-,42-,43+/m1/s1

2.1.3 InChI Key

UZPQVEVQJJKELH-IRTWTMQLSA-N

2.1.4 Canonical SMILES

C1=CC(=CC=C1C=CC(=O)C2=C(C(=CC3=C(C(=C(C=CC4=CC=C(C=C4)O)O)C(=O)C(C3=O)(C5C(C(C(C(O5)CO)O)O)O)O)O)C(=O)C(C2=O)(C6C(C(C(C(O6)CO)O)O)O)O)O)O

2.1.5 Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)C2=C(/C(=C/C3=C(/C(=C(/C=C/C4=CC=C(C=C4)O)\O)/C(=O)[C@](C3=O)([C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)/C(=O)[C@](C2=O)([C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O

2.2 Create Date

2006-04-29

3 Chemical and Physical Properties

Molecular Formula	C₄₃H₄₂O₂₂
Molecular Weight	910.8 g/mol
XLogP3	-2
Hydrogen Bond Donor Count	15
Hydrogen Bond Acceptor Count	22
Rotatable Bond Count	10
Exact Mass	910.21677296 g/mol
Monoisotopic Mass	910.21677296 g/mol
Topological Polar Surface Area	407 Å²
Heavy Atom Count	65
Formal Charge	0
Complexity	2100
Isotope Atom Count	0
Defined Atom Stereocenter Count	12
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	4
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1