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

DEVELOPMENTS

1 Drugs in Development

1 Drugs in Development

DIGITAL CONTENT

1 NEWS #PharmaBuzz

media
1 NEWS #PharmaBuzz

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

1DRUGS 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: Mri-1891, 4g8x27x87a, 2712480-46-9, Mri-1891, (s)-, Unii-4g8x27x87a, (4s)-3-(4-chlorophenyl)-4,5-dihydro-n'-(acetylamino(imino)methyl)-4-phenyl-n-((4-(trifluoromethyl)phenyl)sulfonyl)-1h-pyrazole-1-carboximidamide

Molecular Formula

C₂₆H₂₂ClF₃N₆O₃S

Molecular Weight

591.0 g/mol

InChI Key

GYJPQNPVIJXXTA-JOCHJYFZSA-N

FDA UNII

4G8X27X87A

1 2D Structure

Monlunabant

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(E)-N'-[(Z)-C-[(4S)-5-(4-chlorophenyl)-4-phenyl-3,4-dihydropyrazol-2-yl]-N-[4-(trifluoromethyl)phenyl]sulfonylcarbonimidoyl]carbamimidoyl]acetamide

2.1.2 InChI

InChI=1S/C26H22ClF3N6O3S/c1-16(37)32-24(31)33-25(35-40(38,39)21-13-9-19(10-14-21)26(28,29)30)36-15-22(17-5-3-2-4-6-17)23(34-36)18-7-11-20(27)12-8-18/h2-14,22H,15H2,1H3,(H3,31,32,33,35,37)/t22-/m1/s1

2.1.3 InChI Key

GYJPQNPVIJXXTA-JOCHJYFZSA-N

2.2 Other Identifiers

2.2.1 UNII

4G8X27X87A

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Mri-1891

2. 4g8x27x87a

3. 2712480-46-9

4. Mri-1891, (s)-

5. Unii-4g8x27x87a

6. (4s)-3-(4-chlorophenyl)-4,5-dihydro-n'-(acetylamino(imino)methyl)-4-phenyl-n-((4-(trifluoromethyl)phenyl)sulfonyl)-1h-pyrazole-1-carboximidamide

7. Acetamide, N-(((((4s)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1h-pyrazol-1-yl)(((4-(trifluoromethyl)phenyl)sulfonyl)amino)methylene)amino)iminomethyl)-

8. (4s)-3-(4-chlorophenyl)-4,5-dihydro-n'-(acetylamino(imino)methyl)-4-phenyl-n-[[4-(trifluoromethyl)phenyl]sulfonyl]-1h-pyrazole-1-carboximidamide

9. Acetamide, N-[[[[(4s)-3-(4-chlorophenyl)-4,5-dihydro-4-phenyl-1h-pyrazol-1-yl][[[4-(trifluoromethyl)phenyl]sulfonyl]amino]methylene]amino]iminomethyl]-

10. Monlunabant [inn]

11. Ex-a8464

12. Da-65593

13. Hy-153800

14. Cs-0864427

2.4 Create Date

2022-09-15

3 Chemical and Physical Properties

Molecular Formula	C₂₆H₂₂ClF₃N₆O₃S
Molecular Weight	591.0 g/mol
XLogP3	5.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	138
Heavy Atom Count	40
Formal Charge	0
Complexity	1100
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1