Gangwal Healthcare is powered by innovation, driving health, wellness & healing.

Contact Supplier

SPI Pharma has been solving formulation challenges using superior functional materials.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

5 Drugs in Development

5 Drugs in Development

DIGITAL CONTENT

3 NEWS #PharmaBuzz

media
3 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

5DRUGS 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: Emraclidine [inn], Unii-j241y80eeo, J241y80eeo, 2170722-84-4, 1-(2,4-dimethyl-5,7-dihydro-6h-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)ethan-1-one, Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6h-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)-4-pyridinyl)-3-azetidinyl)-

Molecular Formula

C₂₀H₂₁F₃N₄O

Molecular Weight

390.4 g/mol

InChI Key

DTCZNKWBDTXEBS-UHFFFAOYSA-N

FDA UNII

J241Y80EEO

1 2D Structure

Emraclidine

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

1-(2,4-dimethyl-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)pyridin-4-yl]azetidin-3-yl]ethanone

2.1.2 InChI

InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3

2.1.3 InChI Key

DTCZNKWBDTXEBS-UHFFFAOYSA-N

2.1.4 Canonical SMILES

CC1=CC(=NC2=C1CN(C2)C(=O)CC3CN(C3)C4=CC(=NC=C4)C(F)(F)F)C

2.2 Other Identifiers

2.2.1 UNII

J241Y80EEO

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Emraclidine [inn]

2. Unii-j241y80eeo

3. J241y80eeo

4. 2170722-84-4

5. 1-(2,4-dimethyl-5,7-dihydro-6h-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)ethan-1-one

6. Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6h-pyrrolo(3,4-b)pyridin-6-yl)-2-(1-(2-(trifluoromethyl)-4-pyridinyl)-3-azetidinyl)-

7. 1-(2,4-dimethyl-5,7-dihydro-6h-pyrrolo[3,4-b]pyridin-6-yl)-2-(1-(2-(trifluoromethyl)pyridin-4-yl)azetidin-3-yl)ethan-1-one

8. Schembl21847933

9. Ex-a6010

10. Hy-132812

11. Cs-0204064

12. F77969

2.4 Create Date

2019-12-06

3 Chemical and Physical Properties

Molecular Formula	C₂₀H₂₁F₃N₄O
Molecular Weight	390.4 g/mol
XLogP3	2.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	3
Exact Mass	390.16674579 g/mol
Monoisotopic Mass	390.16674579 g/mol
Topological Polar Surface Area	49.3 Å²
Heavy Atom Count	28
Formal Charge	0
Complexity	580
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1