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| IUPAC Name: | (3S,7R)-N-[(2,4-difluorophenyl)methyl]-11-methoxy-7-methyl-9,12-dioxo-4-oxa-1,8-diazatricyclo[8.4.0.03,8]tetradeca-10,13-diene-13-carboxamide |
| Description: | (4R,12AS)-N-(2,4-Difluorobenzyl)-7-methoxy-4-methyl-6,8-dioxo-3,4,6,8,12,12a-hexahydro-2H-pyrido[1',2':4,5]pyrazino[2,1-b][1,3]oxazine-9-carboxamide is an intermediate in the preparation of dolutegravir, an integrase inhibitor for HIV-1 infection therapy. |
| Molecular Weight: | 433.41 |
| Molecular Formula: | C21H21F2N3O5 |
| Canonical SMILES: | CC1CCOC2N1C(=O)C3=C(C(=O)C(=CN3C2)C(=O)NCC4=C(C=C(C=C4)F)F)OC |
| InChI: | InChI=1S/C21H21F2N3O5/c1-11-5-6-31-16-10-25-9-14(18(27)19(30-2)17(25)21(29)26(11)16)20(28)24-8-12-3-4-13(22)7-15(12)23/h3-4,7,9,11,16H,5-6,8,10H2,1-2H3,(H,24,28)/t11-,16+/m1/s1 |
| InChI Key: | MOSMLVZNRGURDI-BZNIZROVSA-N |
| References: | Vellanki, S. P., et al. From Indian Pat. Appl. (2016), IN 2015CH00588 A 20160826; Gu, S., et al.; From Faming Zhuanli Shenqing (2017). |
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