| Description |
Lenacapavir-[13C,d3] is the labelled form of Lenacapavir, which is an antiretroviral medication used to treat HIV/AIDS. |
| Synonyms |
(3bS,4aR)-N-[(1S)-1-[3-[4-Chloro-3-[(methylsulfonyl)amino]-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl]-6-[3-methyl-3-(methylsulfonyl)-1-butyn-1-yl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-5,5-difluoro-3b,4,4a,5-tetrahydro-3-(trifluoromethyl)-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazole-1-acetamide-13C,d3; GS 6207-13C,d3; GS 714207-13C,d3; GS-CA-2-13C,d3; [13C,D3]-Lenacapavir |
| IUPAC Name |
N-((S)-1-(3-(4-chloro-3-((methyl)sulfonamido-13C-1,1,1-d3)-1-(2,2,2-trifluoroethyl)-1H-indazol-7-yl)-6-(3-methyl-3-(methylsulfonyl)but-1-yn-1-yl)pyridin-2-yl)-2-(3,5-difluorophenyl)ethyl)-2-((3bS,4aR)-5,5-difluoro-3-(trifluoromethyl)-3b,4,4a,5-tetrahydro-1H-cyclopropa[3,4]cyclopenta[1,2-c]pyrazol-1-yl)acetamide |
| Related CAS |
2189684-44-2 (unlabelled)
|
| Canonical SMILES |
O=C(N[C@H](C1=NC(C#CC(S(=O)(C)=O)(C)C)=CC=C1C2=CC=C(Cl)C3=C2N(CC(F)(F)F)N=C3NS(=O)([13C]([2H])([2H])[2H])=O)CC4=CC(F)=CC(F)=C4)CN5N=C(C(F)(F)F)C6=C5C(F)(F)[C@@]7([H])[C@]6([H])C7 |
| InChI |
InChI=1S/C39H32ClF10N7O5S2/c1-36(2,63(3,59)60)10-9-21-5-6-22(23-7-8-26(40)30-32(23)57(17-37(43,44)45)54-35(30)55-64(4,61)62)31(51-21)27(13-18-11-19(41)14-20(42)12-18)52-28(58)16-56-34-29(33(53-56)39(48,49)50)24-15-25(24)38(34,46)47/h5-8,11-12,14,24-25,27H,13,15-17H2,1-4H3,(H,52,58)(H,54,55)/t24-,25+,27-/m0/s1/i4+1D3 |
| InChI Key |
BRYXUCLEHAUSDY-UZLVEGGVSA-N |
| Purity |
>95% |
| Storage |
Store at 2-8 °C |
![Lenacapavir-[13C,d3]](https://resource.bocsci.com/structure/lenacapavir-%5B13c%2Cd3%5D.gif)
