BGC > CAS Search > 144432-23-5

Description :
Oxacyclohexane open ring tacrolimus is an impurity of Tacrolimus, which is a macrolide drug that is widely used as a potent immunosuppressant.

• Molecular Weight :822.03
• Purity :≥90% by HPLC

Molecular Formula :
C44H71NO13
Canonical SMILES :
CC1CC(C(C(CC(C(=O)C(C(=O)N2CCCCC2C(=O)OC(C(C(CC(=O)C(C=C(C1)C)CC=C)O)C)C(=CC3CCC(C(C3)OC)O)C)(O)O)C)OC)O)OC
InChI :
InChI=1S/C44H71NO13/c1-10-13-31-19-25(2)18-26(3)20-37(56-8)39(49)38(57-9)22-28(5)41(50)44(53,54)43(52)45-17-12-11-14-32(45)42(51)58-40(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)55-7/h10,19,21,26,28-34,36-40,46-47,49,53-54H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32-,33+,34-,36+,37-,38-,39+,40+/m0/s1
InChIKey :
NDOLMJWSFDJWBE-SICKWUOOSA-N
Synonyms :
Tacrolimus Open Ring Impurity; Tacrolimus related compound, tacrolimus open ring

More details are to be found here