Tacrolimus EP Impurity H
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| Category | Tacrolimus Analogue Set |
| Catalog number | BBF-05744 |
| CAS | 143210-33-7 |
| Molecular Weight | 776.01 |
| Molecular Formula | C43H69NO11 |
| Purity | ≥95% |
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Description
Tacrolimus EP Impurity H 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 | (1E,3S,4R,5S,8R,9E,12S,14S)-5-hydroxy-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-14-methoxy-14-[(2R,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2,4,10,12-tetramethyl-7-oxo-8-(prop-2-en-1-yl)tetradeca-1,9-dien-3-yl (2S)-1-formylpiperidine-2-carboxylate; Tacrolimus monohydrate impurity H [EP]; 2-Piperidinecarboxylic acid, 1-formyl-, (1S,2R,3S,6R,7E,10S,12S)-3-hydroxy-1-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-12-methoxy-2,8,10-trimethyl-5-oxo-6-(2-propen-1-yl)-12-[(2R,3S,5R)-tetrahydro-3-methoxy-5-methyl-6-oxo-2H-pyran-2-yl]-7-dodecen-1-yl ester, (2S)-; (1S,2R,3S,6R,7E,10S,12S)-3-Hydroxy-1-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-12-methoxy-2,8,10-trimethyl-5-oxo-6-(2-propen-1-yl)-12-[(2R,3S,5R)-tetrahydro-3-methoxy-5-methyl-6-oxo-2H-pyran-2-yl]-7-dodecen-1-yl (2S)-1-formyl-2-piperidinecarboxylate; 2-Piperidinecarboxylic acid, 1-formyl-, (1S,2R,3S,6R,7E,10S,12S)-3-hydroxy-1-[(1E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-12-methoxy-2,8,10-trimethyl-5-oxo-6-(2-propenyl)-12-[(2R,3S,5R)-tetrahydro-3-methoxy-5-methyl-6-oxo-2H-pyran-2-yl]-7-dodecenyl ester, (2S)-; 2-Piperidinecarboxylic acid, 1-formyl-, 3-hydroxy-1-[2-(4-hydroxy-3-methoxycyclohexyl)-1-methylethenyl]-12-methoxy-2,8,10-trimethyl-5-oxo-6-(2-propenyl)-12-(tetrahydro-3-methoxy-5-methyl-6-oxo-2H-pyran-2-yl)-7-dodecenyl ester, [2R-[2α[1S*[[E(1R*,3R*,4R*)],(S*)],2R*,3S*,6R*,7E,10S*,12S*],3β,5β]]- |
| Storage | Store at 2-8°C |
| IUPAC Name | [(1E,3S,4R,5S,8R,9E,12S,14S)-5-hydroxy-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-14-methoxy-14-[(2R,3S,5R)-3-methoxy-5-methyl-6-oxooxan-2-yl]-2,4,10,12-tetramethyl-7-oxo-8-prop-2-enyltetradeca-1,9-dien-3-yl] (2S)-1-formylpiperidine-2-carboxylate |
| Canonical SMILES | CC1CC(C(OC1=O)C(CC(C)CC(=CC(CC=C)C(=O)CC(C(C)C(C(=CC2CCC(C(C2)OC)O)C)OC(=O)C3CCCCN3C=O)O)C)OC)OC |
| InChI | InChI=1S/C43H69NO11/c1-10-13-32(19-26(2)18-27(3)20-38(52-8)41-39(53-9)22-29(5)42(49)55-41)36(48)24-35(47)30(6)40(54-43(50)33-14-11-12-17-44(33)25-45)28(4)21-31-15-16-34(46)37(23-31)51-7/h10,19,21,25,27,29-35,37-41,46-47H,1,11-18,20,22-24H2,2-9H3/b26-19+,28-21+/t27-,29+,30+,31-,32+,33-,34+,35-,37+,38-,39-,40+,41+/m0/s1 |
| InChI Key | LUBLZMAEBCCRLW-HTLAODBJSA-N |
Properties
| Boiling Point | 862.8±65.0°C at 760 mmHg |
| Density | 1.14±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 ╳
