ChemWerth works in generic API development & supply, non-infringement patent strategy development and regulatory support.

ACCESS ALL DATA
Browse all information
CHEMISTRY
Discover Molecule Insights

DEVELOPMENTS

4 Drugs in Development

4 Drugs in Development

DIGITAL CONTENT

2 NEWS #PharmaBuzz

media
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

4DRUGS 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: Vtf9mmj8cn, Methylcytidylyl-5'-[o-[21-[[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy]-9,9-bis[12-[[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy]-7-mercapto-7-oxido-2,6,8-trioxa-7-phosphadodec-1-yl]-16-mercapto-16-oxido-7,11,15,17-tetraoxa-16-phosphaheneicos-1-yl] hydroxy phosphate]

Molecular Formula

C₆₆H₁₂₂N₆O₃₈P₄S₄

Molecular Weight

1859.9 g/mol

InChI Key

ORJSJIGSEZSCDD-JOZDTAFESA-N

FDA UNII

VTF9MMJ8CN

1 2D Structure

Zerlasiran

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

N-[(2R,3R,4R,5R,6R)-2-[4-[3-[2,2-bis[3-[4-[(2R,3R,4R,5R,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybutoxy-hydroxyphosphinothioyl]oxypropoxymethyl]-3-[6-[[(2R,3R,4R,5R)-5-(4-amino-2-oxopyrimidin-1-yl)-3-hydroxy-4-methoxyoxolan-2-yl]methoxy-hydroxyphosphinothioyl]oxyhexoxy]propoxy]propoxy-hydroxyphosphinothioyl]oxybutoxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

2.1.2 InChI

InChI=1S/C66H122N6O38P4S4/c1-42(76)68-50-57(83)53(79)45(34-73)108-62(50)96-24-9-12-28-99-111(87,115)103-31-15-21-93-39-66(40-94-22-16-32-104-112(88,116)100-29-13-10-25-97-63-51(69-43(2)77)58(84)54(80)46(35-74)109-63,41-95-23-17-33-105-113(89,117)101-30-14-11-26-98-64-52(70-44(3)78)59(85)55(81)47(36-75)110-64)38-92-20-7-5-6-8-27-102-114(90,118)106-37-48-56(82)60(91-4)61(107-48)72-19-18-49(67)71-65(72)86/h18-19,45-48,50-64,73-75,79-85H,5-17,20-41H2,1-4H3,(H,68,76)(H,69,77)(H,70,78)(H,87,115)(H,88,116)(H,89,117)(H,90,118)(H2,67,71,86)/t45-,46-,47-,48-,50-,51-,52-,53+,54+,55+,56-,57-,58-,59-,60-,61-,62-,63-,64-,66?,111?,112?,113?,114?/m1/s1

2.1.3 InChI Key

ORJSJIGSEZSCDD-JOZDTAFESA-N

2.1.4 Canonical SMILES

CC(=O)NC1C(C(C(OC1OCCCCOP(=S)(O)OCCCOCC(COCCCCCCOP(=S)(O)OCC2C(C(C(O2)N3C=CC(=NC3=O)N)OC)O)(COCCCOP(=S)(O)OCCCCOC4C(C(C(C(O4)CO)O)O)NC(=O)C)COCCCOP(=S)(O)OCCCCOC5C(C(C(C(O5)CO)O)O)NC(=O)C)CO)O)O

2.1.5 Isomeric SMILES

CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1OCCCCOP(=S)(O)OCCCOCC(COCCCCCCOP(=S)(O)OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=NC3=O)N)OC)O)(COCCCOP(=S)(O)OCCCCO[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)NC(=O)C)COCCCOP(=S)(O)OCCCCO[C@H]5[C@@H]([C@H]([C@H]([C@H](O5)CO)O)O)NC(=O)C)CO)O)O

2.2 Other Identifiers

2.2.1 UNII

VTF9MMJ8CN

2.3 Synonyms

2.3.1 Depositor-Supplied Synonyms

1. Vtf9mmj8cn

2. Methylcytidylyl-5'-[o-[21-[[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy]-9,9-bis[12-[[2-(acetylamino)-2-deoxy-beta-d-galactopyranosyl]oxy]-7-mercapto-7-oxido-2,6,8-trioxa-7-phosphadodec-1-yl]-16-mercapto-16-oxido-7,11,15,17-tetraoxa-16-phosphaheneicos-1-yl] Hydroxy Phosphate]

2.4 Create Date

2023-01-03

3 Chemical and Physical Properties

Molecular Formula	C₆₆H₁₂₂N₆O₃₈P₄S₄
Molecular Weight	1859.9 g/mol
XLogP3	-2.7
Hydrogen Bond Donor Count	18
Hydrogen Bond Acceptor Count	42
Rotatable Bond Count	63
Exact Mass	g/mol
Monoisotopic Mass	g/mol
Topological Polar Surface Area	742
Heavy Atom Count	118
Formal Charge	0
Complexity	2980
Isotope Atom Count	0
Defined Atom Stereocenter Count	19
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1