CAS No. 515814-01-4

Molecular Formula: C30H57N3O5
Molecular Weight: 539.79068

Description:
Voclosporine is an orally available calcineurin inhibitor and potent immunosuppressant used in combination with mycophenolate mofetil and corticosteroids for the treatment of acute lupus nephritis.

• Molecular Weight: 1214.62
• Molecular Formula: C63H111N11O12

Purity: 98%

Canonical SMILES:
CCC1C(=O)N(CC(=O)N(C(C(=O)NC(C(=O)N(C(C(=O)NC(C(=O)NC(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N(C(C(=O)N1)C(C(C)CC=CC=C)O)C)C(C)C)C)CC(C)C)C)CC(C)C)C)C)C)CC(C)C)C)C(C)C)CC(C)C)C)C

InChI:
InChI=1S/C63H111N11O12/c1-25-27-28-29-41(15)53(76)52-57(80)66-44(26-2)59(82)68(18)34-49(75)69(19)45(30-35(3)4)56(79)67-50(39(11)12)62(85)70(20)46(31-36(5)6)55(78)64-42(16)54(77)65-43(17)58(81)71(21)47(32-37(7)8)60(83)72(22)48(33-38(9)10)61(84)73(23)51(40(13)14)63(86)74(52)24/h25,27-28,35-48,50-53,76H,1,26,29-34H2,2-24H3,(H,64,78)(H,65,77)(H,66,80)(H,67,79)/b28-27+/t41-,42+,43-,44+,45+,46+,47+,48+,50+,51+,52+,53-/m1/s1

InChIKey: BICRTLVBTLFLRD-PTWUADNWSA-N

• Boiling Point: 1303.8±65.0°C (Predicted)
• Solubility: Soluble in Benzene (Slightly), Methanol (Slightly)
• Appearance: White to Off-white Solid
• Application: A new agent for the treatment of noninfectious uveitis.
• Storage: Store at -20°C under inert atmosphere

Synonyms:
6-[(2S,3R,4R,6E)-3-Hydroxy-4-methyl-2-(methylamino)-6,8-nonadienoic acid]cyclosporin A; ISATX 247; R 1524; trans-ISA 247; Voclosporin; Luveniq; Lupkynis; 1,11-anhydro[L-alanyl-D-alanyl-N-methyl-L-leucyl-N-methyl-L-leucyl-N-methyl-L-valyl-[(2S,3R,4R,6E)-3-hydroxy-4-methyl-2-(methylamino)nona-6,8-dienoyl][(2S)-2-aminobutanoyl]-N-methylglycyl-N-methyl-L-leucyl-L-valyl-N-methyl-L-leucine]

More details are to be found on supplier website