API0232241
Darunavir
Darunavir is an anti-HIV drug.
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CAS No.
206361-99-1
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Synonyms
Darunavir; 206361-99-1; TMC114
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CHEMBL ID
CHEMBL1323
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Molecule Type
Small molecule
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Compound CID
213039
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Molecular Weight (g/mol)
547.7
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Molecular Formula
C27H37N3O7S
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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
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InChIKey
CJBJHOAVZSMMDJ-HEXNFIEUSA-N
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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
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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
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Exact Mass (Da)
547.2352217
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Monoisotopic Mass (Da)
547.2352217
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