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Darunavir

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For Research Use Only | Not For Clinical Use

CAT	APS206361991
CAS	206361-99-1
Structure
MDL Number	MFCD09260006
Synonyms	Darunavir, Carbamic acid, [(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 (9CI),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, Prezista, TMC 114 (inhibitor), Carbamic acid, [3-[[(4-aminophenyl)sulfonyl](2-methylpropyl)amino]-2-hydroxy-1-(phenylmethyl)propyl]-, hexahydrofuro[2,3-b]furan-3-yl ester, [3R-[3α(1S,2R),3aβ,6aβ]]-, TMC 41629, UIC 94017, (-)-Darunavir, TMC 114
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-phenylbutan-2-yl]carbamate
Molecular Weight	547.66
Molecular Formula	C27H37N3O7S
Canonical SMILES	CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]2CO[C@H]3OCC[C@@H]23)S(=O)(=O)c4ccc(N)cc4
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

Description	≥98% (HPLC)
Solubility	DMSO: 20 mg/mL, clear
Accurate Mass	547.2352
Assay	≥98% (HPLC)
Color	white to beige
Form	powder
Format	Neat
Size	10MG, 50MG
Storage Conditions	−20°C

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