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Tacrolimus hydrate

Molecular formula:C44H71NO13
Average mass:822.046
Monoisotopic mass:821.492541
ChemSpider ID:20118181
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14 of 14 defined stereocentres

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Double-bond stereo

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Wikipedia

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Verified

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr icyclo[22.3.1.0~4,9~]octacos-18-en-2,3,10,16-tetronhydrat (1:1)

[German]

[ACD/IUPAC Name]

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-propen-2-yl}-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatr icyclo[22.3.1.0~4,9~]octacos-18-ene-2,3,10,16-tetrone hydrate (1:1)

[ACD/IUPAC Name]

(1R,9S,12S,13R,14S,17R,18Z,21S,23S,24R,25S,27R)-17-Allyl-1,14-dihydroxy-12-{(1E)-1-[(1R,3R,4R)-4-hydroxy-3-méthoxycyclohexyl]-1-propén-2-yl}-23,25-diméthoxy-13,19,21,27-tétraméthyl-11,28-dioxa-4-azatr icyclo[22.3.1.0~4,9~]octacos-18-ène-2,3,10,16-tétrone, hydrate (1:1)

[French]

[ACD/IUPAC Name]

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-methoxycycl ohexyl]-1-methylethenyl]-14,16-dimethoxy-4,10,12,18-tetramethyl-8-(2-propen-1-yl)-, (3S,4R,5S,8R,9Z,12S,14S,15R,16S,18R,19R,26aS)-, hydrate (1:1)

[ACD/Index Name]

Tacrolimus hydrate

TACROLIMUS MONOHYDRATE

Tsukubaenolide hydrate

Unverified

109581-93-3

[RN]

FK 506 monohydrate

FK-506 monohydrate

FK-506 monohydrate;Fujimycin monohydrate;FR900506 monohydrate;FK506 monohydrate;FK 506 monohydrate

FK506 monohydrate

FR900506 monohydrate

Fujimycin monohydrate

MFCD11045918

[MDL number]

Tacrolimus

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Tacrolimus (monohydrate)