Tacrolimus EP Impurity C
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| Category | Tacrolimus Analogue Set |
| Catalog number | BBF-05742 |
| CAS | |
| Molecular Weight | 789.99 |
| Molecular Formula | C43H67NO12 |
| Purity | ≥95% |
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Description
Tacrolimus EP Impurity C is an impurity of Tacrolimus, which is a calcineurin inhibitor used as an immunosuppressant after organ transplantation to reduce the activity of the patient's immune system, thereby reducing the risk of organ rejection.
Specification
| Synonyms | (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-5,19-dihydroxy-3-[(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-14,16-dimethoxy-4,12,18-trimethyl-8-(prop-2-en-1-yl)-3,4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-octadecahydro-7H-15,19-epoxypyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone; 10-Desmethyl tacrolimus; 15,19-Epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(4H,23H)-tetrone, 5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-dimethoxy-4,12,18-trimethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-; Tacrolimus monohydrate EP impurity C; (3S,4R,5S,8R,9E,12S,14S,15R,16S,18R,19R,26aS)-8-Allyl-5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-hexadecahydro-5,19-dihydroxy-3-[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylvinyl]-14,16-dimethoxy-4,12,18-trimethyl-15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21-(4H,23H)-tetrone; Desmethyl tacrolimus |
| IUPAC Name | (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,14-dihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,21,27-trimethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone |
| Canonical SMILES | CC1CC=CC(C(=O)CC(C(C(OC(=O)C2CCCCN2C(=O)C(=O)C3(C(CC(C(O3)C(C1)OC)OC)C)O)C(=CC4CCC(C(C4)OC)O)C)C)O)CC=C |
| InChI | InChI=1S/C43H67NO12/c1-9-13-30-15-12-14-25(2)20-36(53-7)39-37(54-8)22-27(4)43(51,56-39)40(48)41(49)44-19-11-10-16-31(44)42(50)55-38(28(5)33(46)24-34(30)47)26(3)21-29-17-18-32(45)35(23-29)52-6/h9,12,15,21,25,27-33,35-39,45-46,51H,1,10-11,13-14,16-20,22-24H2,2-8H3/b15-12+,26-21+/t25-,27+,28+,29-,30+,31-,32+,33-,35+,36-,37-,38+,39+,43+/m0/s1 |
| InChI Key | BQLWDKIYJULKSU-DKZHBRNOSA-N |
Properties
| Boiling Point | 866.5±75.0°C at 760 mmHg |
| Density | 1.2±0.1 g/cm3 |
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
