Account (3R,3AS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate Ethanolate
- Catalog No. :
- ACJHPK318
- CAS No. :
- 635728-49-3
- Molecular Formula :
- C29H43N3O8S
- Molecular Weight :
- 593.74
IUPAC Name:(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate--ethanol (1/1)
![(3R,3AS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate Ethanolate structure diagram](/images/productimg/no-pic.svg)
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Product Information
| Product Name | (3R,3AS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate Ethanolate |
|---|---|
| IUPAC Name | (3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate--ethanol (1/1) |
| MDL No. | MFCD18251642 |
| Molecular Formula | C29H43N3O8S |
| Molecular Weight | 593.74 |
| SMILES | O=S(N(C[C@H]([C@@H](NC(O[C@@H]1[C@]2([C@]([H])(OCC2)OC1)[H])=O)CC3=CC=CC=C3)O)CC(C)C)(C4=CC=C(C=C4)N)=O.OCC |
| InChI Key | QWSHKNICRJHQCY-VBTXLZOXSA-N |
| Synonym | [(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; ethanol; TMC114 | Darunavir monoethanolate | ((1S,2R)-3-(((4-AM |
| CAS No. | 635728-49-3 |
| PubChem CID | 23725083 |
Safety Data
- Pictogram
- Signal Word
- Warning
- Hazard Statement(s)
- H302-H315-H319-H335
- Precautionary Statement(s)
- P261-P305+P351+P338
Synthetic Route by SureRoute
2. ACJHPK318 Molecular Building Block Synthetic Route
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2S,3R)-4-(4-amino-N-isobutylphenylsulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
(3S,3aR,6aS)-Hexahydrofuro[2,3-b]furan-3-yl ((2R,3S)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate
(3R,3aS,6aR)-Hexahydrofuro[2,3-b]furan-3-yl ((2R,3R)-4-((4-amino-N-isobutylphenyl)sulfonamido)-3-hydroxy-1-phenylbutan-2-yl)carbamate