Darunavir

CAS 206361-99-1C27H37N3O7SMW 547.7

Darunavir (CAS 206361-99-1) — formula C27H37N3O7S, molecular weight 547.7.

Product Overview

CAS Number	206361-99-1
Molecular Formula	C27H37N3O7S
Molecular Weight	547.7
Melting Point	74-76
LogP	1.89

Technical Profile

What this product is

Darunavir is a chemical compound with CAS registry number 206361-99-1 and molecular formula C27H37N3O7S (molecular weight 547.7).

Identification

CAS number: 206361-99-1

Its molecular formula C27H37N3O7S comprises 27 C, 37 H, 3 N, 7 O, 1 S atoms.

Also known as: Darunavir · 达芦那韦

Frequently Asked Questions

What is the CAS number of Darunavir?

The CAS registry number of Darunavir is 206361-99-1.

What is the molecular formula and molecular weight of Darunavir?

Molecular formula C27H37N3O7S, molecular weight 547.7.

What other names is Darunavir known by?

It is also registered under: Darunavir, 达芦那韦.

PubChem Public Data

Independent reference data for Darunavir (CAS 206361-99-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number	206361-99-1
PubChem CID	213039
Molecular formula	C27H37N3O7S
IUPAC name	[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate
UNII (FDA)	YO603Y8113

Computed descriptors

Molecular Weight	547.7
XLogP3	2.9
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	12
Exact Mass	547.23522170
Monoisotopic Mass	547.23522170
Topological Polar Surface Area	149
Heavy Atom Count	38

Physicochemical values on record

Melting Point	74-76
Melting Point	74 °C (decomposes)
Solubility	6.68e-02 g/L
LogP	1.89
LogP	1.8

Documented uses on record

Synonyms and trade names

Darunavir; 206361-99-1; TMC114; TMC-114; UIC-94017; Darunavirum; TMC 114; (-)-DARUNAVIR; DTXSID0046779; UIC 94017; CHEBI:367163; TMC-41629; YO603Y8113; DTXCID8026779; Ethanolate, Darunavir; RefChem:585195

GHS hazard classification

Reported hazard statements	H315 (100%), H317 (100%), H319 (100%), H335 (100%)

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

What the public record says

Darunavir · CAS 206361-99-1 · C27H37N3O7S. UNII YO603Y8113. Melting Point: 74-76; Melting Point: 74 °C (decomposes); Solubility: 6.68e-02 g/L.

Physical description and handling notes

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