Bivalirudin 1-11 Fragment Trifluoroacetic Acid Salt

CAS: 128270-60-0

Ref. TR-B591640

Product Information

• Name: Bivalirudin 1-11 Fragment Trifluoroacetic Acid Salt
• Synonyms: 1-11 Bivalirudin Fragment Trifluoroacetic Acid Salt
• Brand: TRC
• Description: Applications Bivalirudin 1-11 Fragment is an impurity of Bivalirudin, a direct thrombin inhibitor acting as an anticoagulant through inhibition of the enzyme thrombin.References Bertrand, O. et al.: Am. J. Cardio., 110, 599 (2012); Patti, G. et al.: Am. J. Cardio., 110, 478 (2012)

Chemical properties

• Molecular weight: 1030.0511402
• Formula: C₄₃H₆₃N₁₅O₁₅·(C₂HF₃O₂)x
• Color/Form: Neat
• InChI: InChI=1S/C43H63N15O14.C2HF3O2/c44-32(61)17-29(39(69)51-22-36(65)53-26(23-59)16-38(67)68)54-37(66)21-50-34(63)19-48-33(62)18-49-35(64)20-52-40(70)30-10-5-13-57(30)42(72)28(9-4-12-47-43(45)46)55-41(71)31-11-6-14-58(31)56-27(24-60)15-25-7-2-1-3-8-25;3-2(4,5)1(6)7/h1-3,7-8,23-24,26-31,56H,4-6,9-22H2,(H2,44,61)(H,48,62)(H,49,64)(H,50,63)(H,51,69)(H,52,70)(H,53,65)(H,54,66)(H,55,71)(H,67,68)(H4,45,46,47);(H,6,7)/t26-,27-,28-,29-,30-,31-;/m0./s1/i24D
• InChI key: InChIKey=WYWAGYAVZMNPML-RHJMRPMHSA-N
• SMILES: O=C(O)C(F)(F)F.[2H]C(=O)[C@H](Cc1ccccc1)NN1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)N[C@@H](CC(N)=O)C(=O)NCC(=O)N[C@H]([C]=O)CC(=O)O