BGC > Product Search > Sitagliptin phosphate 1-hydrate | 654671-77-9

Molecular Formula: C16H20F6N5O6P
Molecular Weight: 523.3240802
HS Code: 29335990

Description:
Sitagliptin Phosphate Monohydrate is the phosphate salt form of Sitagliptin. Sitagliptin is a dipeptidyl peptidase-4 (DPP-4) inhibitor for treatment of diabetes mellitus type 2.

• Molecular Weight:523.32
• Boiling Point:529.9°C
• Purity:>98%

Molecular Formula:
C16H20F6N5O6P
Canonical SMILES:
C1CN2C(=NN=C2C(F)(F)F)CN1C(=O)CC(CC3=CC(=C(C=C3F)F)F)N.O.OP(=O)(O)O
InChI:
InChI=1S/C16H15F6N5O.H3O4P.H2O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22;1-5(2,3)4;/h4,6,9H,1-3,5,7,23H2;(H3,1,2,3,4);1H2/t9-;;/m1../s1
InChIKey:
GQPYTJVDPQTBQC-KLQYNRQASA-N
Solubility:
Soluble in DMSO (23.8 mg/ml at 25°C), Water (33 mg/ml at 25°C)
Appearance:
White to Off-white Solid
Storage: Store at -20°C
Synonyms:
MK-0431 phosphate monohydrate; 7-[(3R)-3-amino-1-oxo-4-(2,4,5-trifluorophenyl)butyl]-5,6,7,8-tetrahydro-3-(trifluoromethyl)-1,2,4-triazolo[4,3-a]pyrazine phosphate monohydrate