136949-58-1 Purity
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Specification
The molecular formula of pimecrolimus is C43H68ClNO11.
The molecular weight of pimecrolimus is 810.4 g/mol.
The synonyms of pimecrolimus include Elidel, 137071-32-0, SDZ-ASM 981, and SDZ-ASM-981.
The IUPAC name of pimecrolimus is (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.0 4,9 ]octacos-18-ene-2,3,10,16-tetrone.
The InChI of pimecrolimus is InChI=1S/C43H68ClNO11/c1-10-30-18-24(2)17-25(3)19-36(53-8)39-37(54-9)21-27(5)43(51,56-39)40(48)41(49)45-16-12-11-13-32(45)42(50)55-38(28(6)33(46)23-34(30)47)26(4)20-29-14-15-31(44)35(22-29)52-7/h18,20,25,27-33,35-39,46,51H,10-17,19,21-23H2,1-9H3/b24-18+,26-20+/t25-,27+,28+,29-,30+,31-,32-,33-,35+,36-,37-,38+,39+,43+/m0/s1.
The Canonical SMILES of pimecrolimus is CCC1C=C(CC(CC(C2C(CC(C(O2)(C(=O)C(=O)N3CCCCC3C(=O)OC(C(C(CC1=O)O)C)C(=CC4CCC(C(C4)OC)Cl)C)O)C)OC)OC)C)C.
The CAS number of pimecrolimus is 137071-32-0.
The KEGG ID of pimecrolimus is D05480.
The UNII of pimecrolimus is 7KYV510875.
The FDA Pharm Class of pimecrolimus is Calcineurin Inhibitor Immunosuppressant.
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