Metrochem has been delivering customized volume & quality products to customers across the world, taking utmost care of their needs.

Contact Supplier

With Virupaksha, you get a quality product with on-time delivery.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

2 Drugs in Development

2 Drugs in Development

Synopsis

ACTIVE PHARMA INGREDIENTS

API Suppliers

USDMF

CEP/COS

JDMF

EU WC

KDMF

NDC API

VMF

Listed Suppliers

0INTERMEDIATES

REF. STANDARDS OR IMPURITIES

EDQM

USP

Others

FINISHED DOSAGE FORMULATIONS

FDF Dossiers

FDA Orange Book

Europe

Canada

Australia

South Africa

Listed Dossiers

2DRUGS IN DEVELOPMENT

DRUG PRODUCT COMPOSITIONS

0RELATED EXCIPIENT COMPANIES

0EXCIPIENTS BY APPLICATIONS

PATENTS & EXCLUSIVITIES

US Patents

US Exclusivities

Health Canada Patents

API REF. PRICE (USD/KG)

$ 0

GLOBAL SALES INFORMATION

US Medicaid (USD)

Annual Reports (USD Million)

Regulatory FDF Prices

API/FDF Prices: Book a Demo to
explore the features and consider
upgrading later

MARKET PLACE

API

FDF

DIGITAL CONTENT

Data Compilation #PharmaFlow

Stock Recap #PipelineProspector

Weekly News Recap #Phispers

News #PharmaBuzz

Chemistry

Click the arrow to open the dropdown

Click the button for full data set

Also known as: Hrs-4642, Chembl5439556, 3033864-81-9, Orb2646170, Schembl30157089, Bdbm50628058

Molecular Formula

C₃₄H₃₅F₃N₆O₃

Molecular Weight

632.7 g/mol

InChI Key

XLWBILUNGOIIFR-OWBPVYLJSA-N

1 2D Structure

5-ethyl-6-fluoro-4-[(4R,7S,8S)-14-fluoro-17-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]-10-oxa-2,12,16,18,20-pentazapentacyclo[9.7.1.14,7.02,8.015,19]icosa-1(18),11,13,15(19),16-pentaen-13-yl]naphthalen-2-ol

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2.1.2 InChI

InChI=1S/C34H35F3N6O3/c1-2-21-23(36)6-4-17-10-20(44)11-22(26(17)21)29-28(37)30-27-31(43-14-19-5-7-24(38-19)25(43)15-45-32(27)39-29)41-33(40-30)46-16-34-8-3-9-42(34)13-18(35)12-34/h4,6,10-11,18-19,24-25,38,44H,2-3,5,7-9,12-16H2,1H3/t18-,19-,24+,25-,34+/m1/s1

2.1.3 InChI Key

XLWBILUNGOIIFR-OWBPVYLJSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. Hrs-4642

2. Chembl5439556

3. 3033864-81-9

4. Orb2646170

5. Schembl30157089

6. Bdbm50628058

7. Ex-a10284

8. Hy-159127

9. 2836263-09-1

2.3 Create Date

2024-07-25

3 Chemical and Physical Properties

Molecular Formula	C₃₄H₃₅F₃N₆O₃
Molecular Weight	632.7 g/mol
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	12
Rotatable Bond Count	5
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	95.9
Heavy Atom Count	46
Formal Charge	0
Complexity	1130
Isotope Atom Count	0
Defined Atom Stereocenter Count	5
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1