7-Cyanoquinocarcinol

EUROAPI, the leading small molecules API player, provides both API sales & CDMO services.

Virtual Booth

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

C₁₉H₂₃N₃O₄

Molecular Weight

357.4 g/mol

InChI Key

YGWHMSNGVVTUIT-TYNQBDINSA-N

1 2D Structure

7-Cyanoquinocarcinol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

(1R,2S,10R,13S)-12-cyano-10-(hydroxymethyl)-8-methoxy-16-methyl-11,16-diazatetracyclo[11.2.1.02,11.04,9]hexadeca-4(9),5,7-triene-15-carboxylic acid

2.1.2 InChI

InChI=1S/C19H23N3O4/c1-21-12-7-11(19(24)25)18(21)13-6-10-4-3-5-16(26-2)17(10)15(9-23)22(13)14(12)8-20/h3-5,11-15,18,23H,6-7,9H2,1-2H3,(H,24,25)/t11?,12-,13-,14?,15-,18+/m0/s1

2.1.3 InChI Key

YGWHMSNGVVTUIT-TYNQBDINSA-N

2.1.4 Canonical SMILES

CN1C2CC(C1C3CC4=C(C(N3C2C#N)CO)C(=CC=C4)OC)C(=O)O

2.1.5 Isomeric SMILES

CN1[C@H]2CC([C@@H]1[C@@H]3CC4=C([C@@H](N3C2C#N)CO)C(=CC=C4)OC)C(=O)O

2.2 Create Date

2006-04-28

3 Chemical and Physical Properties

Molecular Formula	C₁₉H₂₃N₃O₄
Molecular Weight	357.4 g/mol
XLogP3	-1.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	357.16885622 g/mol
Monoisotopic Mass	357.16885622 g/mol
Topological Polar Surface Area	97 Å²
Heavy Atom Count	26
Formal Charge	0
Complexity	619
Isotope Atom Count	0
Defined Atom Stereocenter Count	4
Undefined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1