C44H67NO11
786 g/mol
APIDanger
Tacrolimus diene
CAS104987-16-8EC806-467-4
Category
API
Compound Class
Natural Product
Primary Use
Pharmaceutical Raw Material
Tacrolimus diene is a derivative of the immunosuppressive agent tacrolimus, used as a pharmaceutical raw material in the manufacturing of immunosuppressive active pharmaceutical ingredients. It is a complex macrocyclic compound with multiple stereocenters and functional groups including alcohols, an amide, an ester, and ethers.
immunosuppressive active pharmaceutical ingredientpharmaceutical manufacturing intermediate
Content scope: Information here supports chemical identification and industrial supply, research, and manufacturing contexts. It is not a therapeutic claim, medical advice, or drug-use instructions.
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CAS 104987-16-8
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Safety Reference
Danger
H301Toxic if swallowed
H311Toxic in contact with skin
H331Toxic if inhaled
Identifiers
IUPAC Name
(1R,9S,12S,13R,14E,17R,18E,21S,23S,24R,25S,27R)-1-hydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacosa-14,18-diene-2,3,10,16-tetrone
InChIKey
PLHJNIVKYISEQW-ADGUVUBISA-N
SMILES
C[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(=O)C(=O)N3CCCC[C@H]3C(=O)O[C@@H]([C@@H](/C=C/C(=O)[C@@H](/C=C(/C1)\C)CC=C)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)C)OC)OC
Synonyms (14)
- TACROLIMUS IMPURITY, TACROLIMUS DIENE-(USP IMPURITY)
- TACROLIMUS MONOHYDRATE IMPURITY I (EP IMPURITY)
- Tacrolimus Diene; Tacrolimus EP Impurity I
- Tacrolimus impurity, tacrolimus diene-(USP)
- .DELTA.23-FK-506
- 23,24-Anhydro tacrolimus
- Tacrolimus diene