Dolutegravir

CAS 1051375-16-6C20H19F2N3O5MW 419.4

Dolutegravir (CAS 1051375-16-6) — formula C20H19F2N3O5, molecular weight 419.4.

Product Overview

CAS Number	1051375-16-6
Molecular Formula	C20H19F2N3O5
Molecular Weight	419.4
Melting Point	190-193ºC
LogP	2.2
Applications	Uses: MEDICATION, HIV Integrase Inhibitors, Methods of Manufacturing: Preparation: B. A. Johns et al., World Intellectual Property Organization patent 06116764 (2006 to Shionogi), eidem, United States of America patent 090318421 (2009), Formulations, Preparations: Tivicay Tablets, 50 mg

Applications

Documented applications: Uses: MEDICATION, HIV Integrase Inhibitors, Methods of Manufacturing: Preparation: B. A. Johns et al., World Intellectual Property Organization patent 06116764 (2006 to Shionogi), eidem, United States of America patent 090318421 (2009), Formulations, Preparations: Tivicay Tablets, 50 mg.

Technical Profile

What this product is

Dolutegravir is a chemical compound with CAS registry number 1051375-16-6 and molecular formula C20H19F2N3O5 (molecular weight 419.4).

Identification

CAS number: 1051375-16-6

Its molecular formula C20H19F2N3O5 comprises 20 C, 19 H, 2 F, 3 N, 5 O atoms.

Also known as: Dolutegravir · 多替拉韦

Frequently Asked Questions

What is the CAS number of Dolutegravir?

The CAS registry number of Dolutegravir is 1051375-16-6.

What is the molecular formula and molecular weight of Dolutegravir?

Molecular formula C20H19F2N3O5, molecular weight 419.4.

What other names is Dolutegravir known by?

It is also registered under: Dolutegravir, 多替拉韦.

What are the documented applications of Dolutegravir?

Recorded applications: Uses: MEDICATION, HIV Integrase Inhibitors, Methods of Manufacturing: Preparation: B. A. Johns et al., World Intellectual Property Organization patent 06116764 (2006 to Shionogi), eidem, United States of America patent 090318421 (2009), Formulations, Preparations: Tivicay Tablets, 50 mg.

PubChem Public Data

Independent reference data for Dolutegravir (CAS 1051375-16-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	1051375-16-6
PubChem CID	54726191
Molecular formula	C20H19F2N3O5
IUPAC name	(3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-hydroxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide
UNII (FDA)	DKO1W9H7M1

Computed descriptors

Molecular Weight	419.4
XLogP3	2.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	3
Exact Mass	419.12927704
Monoisotopic Mass	419.12927704
Topological Polar Surface Area	99.2
Heavy Atom Count	30

Physicochemical values on record

Melting Point	190-193ºC
LogP	2.2
Dissociation Constants	8.2

Documented uses on record

Synonyms and trade names

Dolutegravir; 1051375-16-6; GSK1349572; S/GSK1349572; GSK 1349572; GSK-1349572; S-349572; DKO1W9H7M1; CHEBI:76010; DTXSID90909356; dolutegravirum; RefChem:56964; J05AX12; DTXCID701338419; Tivicay; Dolutegravir (GSK1349572)

Regulatory listings held on file

GHS notification summary	33.3% (1 / 3)

GHS hazard classification

GHS notification summary	33.3% (1 / 3)
Reported hazard statements	H400 (66.7%), H410 (66.7%)

This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.

H400 (66.7%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]

What the public record says

Dolutegravir · CAS 1051375-16-6 · C20H19F2N3O5. UNII DKO1W9H7M1. Melting Point: 190-193ºC; LogP: 2.2; Dissociation Constants: 8.2.

Physical description and handling notes

Source: PubChem / Wikidata; the batch COA governs where values differ.