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Fishfa Biogenics: Renowned Manufacturer, & Exporter of Tacrolimus & Mupirocin API.

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CHEMISTRY
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DEVELOPMENTS

31 Drugs in Development

31 Drugs in Development

DIGITAL CONTENT

2 NEWS #PharmaBuzz

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2 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

31DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

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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: Schembl22216034, Bmf-219, Ex-a6548, 2448172-22-1

Molecular Formula

C₃₁H₃₄N₈O₃

Molecular Weight

566.7 g/mol

InChI Key

CPRLHPSXWZTPMC-XMMPIXPASA-N

1 2D Structure

BMF-219

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[4-(4-morpholin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]-4-[[(3R)-3-(prop-2-enoylamino)piperidin-1-yl]methyl]pyridine-2-carboxamide

2.1.2 InChI

InChI=1S/C31H34N8O3/c1-2-28(40)35-24-4-3-11-38(19-24)18-21-9-10-32-27(16-21)31(41)36-23-7-5-22(6-8-23)26-17-25-29(37-26)33-20-34-30(25)39-12-14-42-15-13-39/h2,5-10,16-17,20,24H,1,3-4,11-15,18-19H2,(H,35,40)(H,36,41)(H,33,34,37)/t24-/m1/s1

2.1.3 InChI Key

CPRLHPSXWZTPMC-XMMPIXPASA-N

2.1.4 Canonical SMILES

C=CC(=O)NC1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6

2.1.5 Isomeric SMILES

C=CC(=O)N[C@@H]1CCCN(C1)CC2=CC(=NC=C2)C(=O)NC3=CC=C(C=C3)C4=CC5=C(N4)N=CN=C5N6CCOCC6

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Schembl22216034

2. Bmf-219

3. Ex-a6548

4. 2448172-22-1

2.3 Create Date

2020-12-19

3 Chemical and Physical Properties

Molecular Formula	C₃₁H₃₄N₈O₃
Molecular Weight	566.7 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	8
Exact Mass	566.27538698 g/mol
Monoisotopic Mass	566.27538698 g/mol
Topological Polar Surface Area	128 Å²
Heavy Atom Count	42
Formal Charge	0
Complexity	924
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1