Wikidata

(Q3765251)

English

darunavir

chemical compound

  • MC-114
  • TMC114
  • (3R,3AS,6ar)-hexahydrofuro[2,3-b]furan-3-yl N-((1S,2R)-1-benzyl-2-hydroxy-3-(N(1)-isobutylsulfanilamido)propyl)carbamate
  • (3R,3AS,6ar)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
  • (3R,3AS,6ar)-hexahydrofuro[2,3-b]furan-3-yl(1S,2R)-3-[[(4-aminophenyl)sulfonyl](isobutyl)amino]-1-benzyl-2-hydroxypropylcarbamate
  • [(S)-3-[(4-Amino-benzenesulfonyl)-isobutyl-amino]-2-hydroxy-1-((R)-phenylmethyl)-propyl]-carbamic acid (3R,3as,6ar)-(hexahydro-furo[2,3-b]furan-3-yl) ester
  • N-((1S,2R)-3-(((4-Aminophenyl)sulfonyl)(2-methylpropyl)amino)-2-hydroxy-1-benzylpropyl)((1S,2R,5R)-4,6-dioxabicyclo(3.3.0)oct-2-yloxy)carboxamide
  • {(1S,2R)-3-[(4-amino-benzenesulfonyl)-isobutyl-amino]-1-benzyl-2-hydroxy-propyl}-carbamic acid (3R,3as,6ar)-(hexahydro-furo[2,3-b]furan-3-yl) ester
  • TMC-114
  • (3R,3AS,6ar)-tetrahydro-2H-furo[2,3-b]furan-3-yl (2S,3R)-4-(4-amino-N-neopentylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-ylcarbamate
  • UIC-940T
  • Darunavir
  • Darunavirum
In more languages

Statements

chemical structure
Darunavir structure.svg
512 × 413; 13 KB
0 references
mass
547.235 dalton
1 reference
stated in
PubChem
PubChem CID
213039
language of work or name
English
title
Darunavir (English)
retrieved
18 October 2016
chemical formula
C₂₇H₃₇N₃O₇S
1 reference
stated in
PubChem
PubChem CID
213039
language of work or name
English
title
Darunavir (English)
retrieved
19 November 2016
canonical SMILES
CC(C)CN(CC(C(CC1=CC=CC=C1)NC(=O)OC2COC3C2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
1 reference
stated in
PubChem
PubChem CID
213039
language of work or name
English
title
Darunavir (English)
retrieved
19 November 2016
isomeric SMILES
CC(C)CN(C[C@H]([C@H](CC1=CC=CC=C1)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N
1 reference
stated in
PubChem
PubChem CID
213039
language of work or name
English
title
Darunavir (English)
retrieved
19 November 2016
Commons category
Darunavir
0 references

Identifiers

Reaxys registry number
7960555
1 reference
stated in
ChEBI
ChEBI ID
367163
language of work or name
English
title
darunavir (English)
retrieved
18 October 2016
HSDB ID
7788
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
7788
publication date
28 October 2019
title
Darunavir (English)
retrieved
10 May 2021
LiverTox ID
Darunavir
0 references
EC number
606-590-1
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.111.730
retrieved
27 December 2018
title
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester (English)
quotation
CAS no.: 206361-99-1 (English)
ECHA Substance Infocard ID
100.111.730
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.111.730
retrieved
27 December 2018
title
Carbamic acid, N-[(1S,2R)-3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ester (English)
quotation
CAS no.: 206361-99-1 (English)
MeSH tree code
D02.065.884.438
0 references
D02.241.081.251.222
0 references
D02.886.590.700.400
0 references
D03.383.312.303
0 references
KEGG ID
D03656
1 reference
stated in
ChEBI
ChEBI ID
367163
language of work or name
English
title
darunavir (English)
retrieved
18 October 2016
PDB ligand ID
017
0 references
DeCS ID
55875
0 references
Freebase ID
/m/0d__jn
0 references
Microsoft Academic ID
2779182219
0 references
2908531392
0 references
PDB structure ID
 
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