Chem
J-GLOBAL ID:200907035438495647   Nikkaji number:J2.037.394F

Darunavir

ダルナビル
Substance type:
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula: C27H37N3O7S
Molecular formula furigana: C27-H37-N3-O7-S
Molecular weight: 547.670
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)/t22-,23-,24+,25-,26+/m0/s1
InChI key: CJBJHOAVZSMMDJ-HEXNFIEUSA-N
SMILES: CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CO[C@H]2OCC[C@@H]12)S(=O)(=O)c1ccc(N)cc1
Systematic name  (4):
  • N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[N-イソブチル-N-(4-アミノフェニルスルホニル)アミノ]プロピル]カルバミン酸[(3R,3aβ,6aβ)-ヘキサヒドロフロ[2,3-b]フラン-3α-イル]
  • N-[(1S,2R)-1-ベンジル-2-ヒドロキシ-3-[N-イソブチル-N-(4-アミノフェニルスルホニル)アミノ]プロピル]カルバミン酸[(3R,3aS,6aR)-ヘキサヒドロフロ[2,3-b]フラン-3-イル]
  • (3R,3aS,6aR)-ヘキサヒドロフロ[2,3-b]フラン-3-イル N-[(2S,3R)-3-ヒドロキシ-4-[N-(2-メチルプロピル)4-アミノベンゼンスルホンアミド]-1-フェニルブタン-2-イル]カルバマート
  • (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S,3R)-3-hydroxy-4-[N-(2-methylpropyl)4-aminobenzenesulfonamido]-1-phenylbutan-2-yl]carbamate
Other name (12):
  • N-[(1S,2R)-1-Benzyl-2-hydroxy-3-[N-isobutyl-N-(4-aminophenylsulfonyl)amino]propyl]carbamic acid [(3R,3aβ,6aβ)-hexahydrofuro[2,3-b]furan-3α-yl] ester
  • TMC-114
  • UIC-94017
  • ダロウナビル
  • Darounavir
Show all
CAS registry number: 206361-99-1
KEGG DRUG: D03656
Application (2):
antiviral drug ,  proteinase inhibitor
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