Sitagliptin Triazecine Analog

cas: 2805078-75-3 — see every product listed under this CAS number, including other names

Sitagliptin Triazecine Analog (CAS 2805078-75-3) is a chemical reagent available from Chemat. Available pack sizes: on request. Offered by: Chemat Brand.

brandChemat Brand
catalog numberRM-S200705
cas2805078-75-3
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Structural formula: {0} (CAS {1})

3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5,6,7,9,10,11-hexahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione (CAS 2805078-75-3) is a chemical compound with the molecular formula C16H13F6N5O2 and a molecular weight of 421.30 g/mol. IUPAC name: 3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5,6,7,9,10,11-hexahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione. InChIKey: CJUCSNDPMOGZTM-UHFFFAOYSA-N.

Identity
Molecular formulaC16H13F6N5O2
Molecular weight421.30 g/mol
IUPAC name3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5,6,7,9,10,11-hexahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione
InChIKeyCJUCSNDPMOGZTM-UHFFFAOYSA-N
SMILESC1CN2C(=NN=C2C(F)(F)F)C(=O)NC(CC(=O)N1)CC3=CC(=C(C=C3F)F)F

Computed by PubChem (NCBI)

Synonyms: CJUCSNDPMOGZTM-UHFFFAOYSA-N, Sitagliptin triazecine analog, (+/-)-
Related forms of this compound
(10R)-3-(trifluoromethyl)-10-[(2,4,5-trifluorophenyl)methyl]-5,6,7,9,10,11-hexahydro-[1,2,4]triazolo[3,4-c][1,4,7]triazecine-8,12-dione C16H13F6N5O2
Isomers (same molecular formula)
(3E)-3-hydroxyimino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one C16H13F6N5O2

Also listed as

Sitagliptin Triazecine Analog, >95% (HPLC) TRC CAS 2805078-75-3