Home/Compounds/Pharmaceutical Intermediate/1-Pyrrolidinecarboxylic acid, 2,2'-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-, 1,1'-bis(1,1-dimethylethyl) ester, (2S,2'S)-
C53H59F5N8O4
967.1 g/mol
Pharmaceutical IntermediateWarning
1-Pyrrolidinecarboxylic acid, 2,2'-[[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)-1-piperidinyl]phenyl]-2,5-pyrrolidinediyl]bis(6-fluoro-1H-benzimidazole-5,2-diyl)]bis-, 1,1'-bis(1,1-dimethylethyl) ester, (2S,2'S)-
CAS1890114-11-0
Category
Pharmaceutical Intermediate
Compound Class
Heterocycle
Primary Use
Pharmaceutical Intermediate
This compound is a pharmaceutical intermediate specifically used in the manufacture of Lenacapavir, an antiretroviral agent. It is a complex polycyclic molecule with multiple fluorine atoms and stereochemical centers.
Pharmaceutical intermediate for Lenacapavir manufacturingResearch compound for antiretroviral drug synthesis
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 1890114-11-0
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Safety Reference
Warning
H302Harmful if swallowed
H315Causes skin irritation
H320Causes eye irritation
H335May cause respiratory irritation
Identifiers
IUPAC Name
tert-butyl (2S)-2-[6-[(2R,5R)-1-[3,5-difluoro-4-[4-(4-fluorophenyl)piperidin-1-yl]phenyl]-5-[6-fluoro-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]pyrrolidin-2-yl]-5-fluoro-1H-benzimidazol-2-yl]pyrrolidine-1-carboxylate
InChIKey
XPFFHMRTDUQKDT-NLBJKKAISA-N
SMILES
CC(C)(C)OC(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C(=C3)F)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(CC6)C7=CC=C(C=C7)F)F)C8=CC9=C(C=C8F)N=C(N9)[C@@H]1CCCN1C(=O)OC(C)(C)C
Synonyms (6)
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