Products 1186414-49-2

CAS 1186414-49-2 is the registry number for 20-Hydroxy Tacrolimus. Offered by: TRC. Available pack sizes: 50mg.

20-Hydroxy Tacrolimus
TRC
  • size: 50mg
  • Variants: 1
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Structural formula: {0} (CAS {1})

[(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,2,14-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-3,16-dioxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-10-ylidene]oxidanium (CAS 1186414-49-2) is a chemical compound with the molecular formula C44H72NO12+ and a molecular weight of 807.0 g/mol. IUPAC name: [(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,2,14-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-3,16-dioxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-10-ylidene]oxidanium. InChIKey: DWPUUOUKZRAQHX-FFMQGXILSA-O.

Identity
Molecular formulaC44H72NO12+
Molecular weight807.0 g/mol
IUPAC name[(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-1,2,14-trihydroxy-12-[(E)-1-[(1R,3R,4R)-4-hydroxy-3-methoxycyclohexyl]prop-1-en-2-yl]-23,25-dimethoxy-13,19,21,27-tetramethyl-3,16-dioxo-17-prop-2-enyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-en-10-ylidene]oxidanium
InChIKeyDWPUUOUKZRAQHX-FFMQGXILSA-O
SMILESC[C@@H]1C[C@@H]([C@@H]2[C@H](C[C@H]([C@@](O2)(C(C(=O)N3CCCC[C@H]3C(=[OH+])O[C@@H]([C@@H]([C@H](CC(=O)[C@@H](/C=C(/C1)\C)CC=C)O)C)/C(=C/[C@@H]4CC[C@H]([C@@H](C4)OC)O)/C)O)O)C)OC)OC

Computed by PubChem (NCBI)

Synonyms: 20-Hydroxy Tacrolimus