Tacrolimus open ring Impurity
Impurity
This molecule is a impurity of Tacrolimus.
Impurity
Tacrolimus open ring Impurity
Cat. No. ANTPRD4438Old No. ANT-TRC-04CAS 144432-23-5Please Enquire
Technical Data
New Cat. No.ANTPRD4438
Old Cat. No.ANT-TRC-04
CAS144432-23-5
Mol. FormulaC44H71NO13
Mol. Weight822.05 g/mol
IUPAC(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone
SMILESC[C@@H]1C[C@@H]([C@H]([C@H](C[C@H](C(=O)C(C(=O)N2CCCC[C@H]2C(=O)O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]3CC[C@H]([C@@H](C3)OC)O)/C)(O)O)C)OC)O)OC
InChIInChI=1S/C44H71NO13/c1-10-13-31-19-25(2)18-26(3)20-37(56-8)39(49)38(57-9)22-28(5)41(50)44(53,54)43(52)45-17-12-11-14-32(45)42(51)58-40(29(6)34(47)24-35(31)48)27(4)21-30-15-16-33(46)36(23-30)55-7/h10,19,21,26,28-34,36-40,46-47,49,53-54H,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+/m0/s1
InChI KeyNDOLMJWSFDJWBE-SICKWUOOSA-N
Description
Overview
Tacrolimus open ring Impurity, Tacrolimus, 144432-23-5, (5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetrone
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Synonyms
(5R,7S,8R,9S,11S,13E,15R,18S,19R,20S,23S)-3,3,8,18-tetrahydroxy-20-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-7,9-dimethoxy-5,11,13,19-tetramethyl-15-prop-2-enyl-21-oxa-1-azabicyclo[21.4.0]heptacos-13-ene-2,4,16,22-tetroneOxacyclohexane open ring tacrolimusUNII-81QVK492XQ144432-23-581QVK492XQTacrolimus Impurity 8Tacrolimus Impurity 54IO183660Q27269265(3S,4R,5S,8R,12S,14S,15R,16S,18R,26aS,E)-8-allyl-5,15,20,20-tetrahydroxy-3-((E)-1-((1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl)prop-1-en-2-yl)-14,16-dimethoxy-4,10,12,18-tetramethyl-3,4,5,6,11,12,13,14,15,16,17,18,24,25,26,26a-hexadecahydro-7H-pyrido[2,1-c][1]oxa[4]azacyclotricosine-1,7,19,21(8H,20H,23H)-tetraone
