Darunavir

enlarge

Systematic / IUPAC Name: 2,3,3a,4,5,6a-Hexahydrofuro[2,3-b]furan-4-yl N-[4-[(4-aminophenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate

ID: Reference2013

Other Names: (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester

Formula: C27H37N3O7S

Class: Therapeutics/Prescription Drugs

Spectral Data

Darunavir mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap; Q Exactive Plus Orbitrap
No. of Spectral Trees 3
No. of Spectra 150
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 1/14/2015 9:44:18 AM
View Mass Spec Data > >

Identificators

InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)
InChI Key CJBJHOAVZSMMDJ-UHFFFAOYSA-N
Canonical SMILES CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
CAS 206361991
Splash
Other Names (3-((4-aminobenzenesulfonyl)isobutylamino)-1-benzyl-2-hydroxypropyl)carbamic acid hexahydrofuro(2,3-b)furan-3-yl ester

In Other Databases

PubChem 23545473
ChemSpider 19817196
Wikipedia Darunavir