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Drug Details

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Name:tacrolimus
PubChem ID:445643
Pathway:Show KEGG pathways
InChI:InChI=1S/C44H69NO12/c1-10-13-31-19-25(2)18-26(3)20-37(54-8)40-38(55-9)22-28(5)44(52,57-40)41(49)42(50)45-17-12-11-14-32(45)43(51)56-39(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)53-7/h10,19,21,26,28-34,36-40,46-47,52H,1,11-18,20,22-24H2,2-9H3/b25-19+,27-21+/t26-,28+,29+,30-,31+,32?,33+,34-,36+,37-,38-,39+,40?,44+/m0/s1
SMILES:C=CC[C@@H]1/C=C(\C)/C[C@H](C)C[C@H](OC)[C@H]2O[C@](O)([C@@H](C[C@@H]2OC)C)C(=O)C(=O)N2[C@H](C(=O)O[C@@H]([C@@H]([C@H](CC1=O)O)C)/C(=C/[C@@H]1CC[C@H]([C@@H](C1)OC)O)/C)CCCC2

Properties:
Formula:C44H69NO12Atoms:57
Molecular Weight:804.018Rotatable Bonds:7
H-bond Acceptors:13H-bond Donors:3
logP:4.5769
Targets:
Synonyms:
()-oxazepam hemisuccinate sodium salt
104987-11-3
15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetro
15,19-epoxy-3H-pyrido[2,1-c][1,4]oxaazacyclotricosine-1,7,20,21(23H)-tetrone,
4,5,6,8,11,12,13,14,15,16,17,18,19,24,25,26,26a-heptadecahydro-5,19-dihydroxy-3-
8-DEETHYL-8-[BUT-3-ENYL]-ASCOMYCIN
AC-1182
AC1L9IBU
Advagraf
AKOS005145901
Ambap104987-11-3
Ambap5429
BRD-K35452788-001-02-1
BSPBio_001279
C01375
CHEBI:100924
CHEBI:61049
CHEMBL269732
D08556
dimethoxy-4,10,12,18-tetramethyl-8-(2-propenyl)-,(3S,4R,5S,8R,12S,14S,15R,16S,18R,19R,26aS)-
FK 506
FK-506
FK-506, Tacrolimus, Fujimycin, Prograf, FK506
FK5
FK506
FR-900506
FT-0082660
Fujimycin
Graceptor
HMS1792O21
HMS1990O21
HMS2093M19
HMS503O21
IDI1_001040
K506
L-679934
LCP-Tacro
LMPK04000003
MLS000759471
Modigraf
MolPort-003-666-518
NCGC00163470-01
NCGC00163470-02
NCGC00163470-03
NCGC00163470-04
NChemBio.2007.16-comp1
Prograf
Prograf (TN)
Protopic
Protopy
S5003_Selleck
SMR000466356
Tacrolimus
Tacrolimus (INN)
Tacrolimus anhydrous
[(E)-2-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]-1-methylethenyl]-14,16-