Products 1025113-89-6

CAS 1025113-89-6 appears in our catalog under these names: Pimecrolimus Impurity 8, Pimecrolimus Impurity 9. Offered by: Chemat Brand. Available pack sizes: on request.

Pimecrolimus Impurity 8
Chemat Brand
  • size: on request
  • Variants: 1
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Pimecrolimus Impurity 9
Chemat Brand
  • size: on request
  • Variants: 1
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Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,17,19,21,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone (CAS 1025113-89-6) is a chemical compound with the molecular formula C42H66ClNO11 and a molecular weight of 796.4 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,17,19,21,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone. InChIKey: NUZRMODSSXQLLP-MEURTNKXSA-N.

Identity
Molecular formulaC42H66ClNO11
Molecular weight796.4 g/mol
IUPAC name(1R,9S,12S,13R,14S,17R,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-1,14-dihydroxy-23,25-dimethoxy-13,17,19,21,27-pentamethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone
InChIKeyNUZRMODSSXQLLP-MEURTNKXSA-N
SMILESC[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@H](CC(=O)[C@@H](C=C(C1)C)C)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC

Computed by PubChem (NCBI)

Synonyms: Desmethyl Pimecrolimus