Products 313682-97-2

CAS 313682-97-2 appears in our catalog under these names: Darunavir Impurity 4, 4-Hydroxy Darunavir. Offered by: Chemat Brand, Hubei YoungXin, TRC, Biosynth. Available pack sizes: on request, 10mg, 25mg, 50mg, 100mg, 200mg, 5mg, 1mg.

Darunavir Impurity 4
Chemat Brand, Hubei YoungXin
  • size: on request, 10mg, 25mg, 50mg
  • Variants: 6
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4-Hydroxy Darunavir
TRC, Biosynth
  • size: 100mg, 5mg, 1mg, 10mg
  • Variants: 6
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Structural formula: {0} (CAS {1})

[(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-(4-hydroxyphenyl)butan-2-yl]carbamate (CAS 313682-97-2) is a chemical compound with the molecular formula C27H37N3O8S and a molecular weight of 563.7 g/mol. 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-(4-hydroxyphenyl)butan-2-yl]carbamate. InChIKey: SNQVQNQWAPHMDK-HEXNFIEUSA-N.

Identity
Molecular formulaC27H37N3O8S
Molecular weight563.7 g/mol
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-(4-hydroxyphenyl)butan-2-yl]carbamate
InChIKeySNQVQNQWAPHMDK-HEXNFIEUSA-N
SMILESCC(C)CN(C[C@H]([C@H](CC1=CC=C(C=C1)O)NC(=O)O[C@H]2CO[C@@H]3[C@H]2CCO3)O)S(=O)(=O)C4=CC=C(C=C4)N

Computed by PubChem (NCBI)

Synonyms: 4-Hydroxy Darunavir, Darunavir metabolite M33, Darunavir metabolite 33, R330689
Isomers (same molecular formula)
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-aminophenyl)sulfonyl-(2-hydroxy-2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate C27H37N3O8S
[(3aS,4R,6aR)-2,3,3a,4,5,6a-hexahydrofuro[2,3-b]furan-4-yl] N-[(2S,3R)-4-[(4-amino-3-hydroxyphenyl)sulfonyl-(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl]carbamate C27H37N3O8S