格拉佐瑞韦水合物

Description

Grazoprevir hydrate · CAS 1350462-55-3 · C38H50N6O9S. UNII 8YE81R1X1J.

Identification

CAS Registry Number	1350462-55-3
PubChem CID	44603531
Molecular formula	C38H50N6O9S
IUPAC name	(1R,18R,20R,24S,27S)-24-tert-butyl-N-[(1R,2S)-1-(cyclopropylsulfonylcarbamoyl)-2-ethenylcyclopropyl]-7-methoxy-22,25-dioxo-2,21-dioxa-4,11,23,26-tetrazapentacyclo[24.2.1.03,12.05,10.018,20]nonacosa-3,5(10),6,8,11-pentaene-27-carboxamide
UNII (FDA)	8YE81R1X1J

Computed Descriptors

Molecular Weight	766.9
XLogP3	4.7
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	11
Rotatable Bond Count	8
Exact Mass	766.33599837
Monoisotopic Mass	766.33599837
Topological Polar Surface Area	204
Heavy Atom Count	54
Formal Charge	0

Physical description & handling notes

• Grazoprevir is classified as a direct-acting antiviral (DAA) and prevents viral replication in HCV genotypes 1a, 1b, and 4.

GHS Hazard Classification

Reported hazard statements	H373 (100%)

Documented Uses

• Grazoprevir is indicated in combination with [DB11574] (as the fixed dose combination product Zepatier) with or without [DB00811] for treatment of chronic HCV genotypes 1a, 1b, or 4 infection in adults.
• Breast Feeding; Lactation; Milk, Human; Antiviral Agents; Protease Inhibitors
• Agents used in the prophylaxis or therapy of VIRUS DISEASES. Some of the ways they may act include preventing viral replication by inhibiting viral DNA polymerase; binding to specific cell-surface receptors and inhibiting viral penetration or uncoating; inhibiting viral protein synthesis; or blocking late stages of virus assembly.
• Mechanisms of Action [MoA] - HCV NS3/4A Protease Inhibitors
• Established Pharmacologic Class [EPC] - Hepatitis C Virus NS3/4A Protease Inhibitor
• Mechanisms of Action [MoA] - Breast Cancer Resistance Protein Inhibitors

Synonyms

Grazoprevir; 1350514-68-9; MK5172; MK-5172 ANHYDROUS; CHEBI:132975; DTXSID50159234; MK-5172 MONOHYDRATE; DTXSID00159229; grazoprevirum; RefChem:782705; DTXCID4081725; DTXCID9081720; J05AP11; 1350462-55-3; 4O2AB118LA; Grazoprevir Hydrate

Frequently Asked Questions

What are the CAS number and molecular formula of Grazoprevir hydrate?

CAS 1350462-55-3; molecular formula C38H50N6O9S; molecular weight — g/mol.

What other names is Grazoprevir hydrate known by?

Grazoprevir, 1350514-68-9, MK5172, MK-5172 ANHYDROUS, CHEBI:132975, DTXSID50159234.

Is Grazoprevir hydrate classified as hazardous?

Hazard statements reported: H373.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.