Products 1000802-56-1

CAS 1000802-56-1 appears in our catalog under these names: Pimecrolimus hydrate, Pimecrolimus (hydrate), 98.0%. Offered by: GLPBio, MedChemExpress. Available pack sizes: 10mg, 5mg, 50mg, 5 mg, 50 mg, 10 mg.

Pimecrolimus hydrate
GLPBio
  • size: 10mg, 5mg, 50mg
  • Variants: 3
from 615.76
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Pimecrolimus (hydrate), 98.0%
MedChemExpress
  • size: 5 mg, 50 mg, 10 mg
  • Variants: 3
from 319.69
View product
Structural formula: {0} (CAS {1})

(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate (CAS 1000802-56-1) is a chemical compound with the molecular formula C43H70ClNO12 and a molecular weight of 828.5 g/mol. IUPAC name: (1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate. InChIKey: NZIZEODSJUZSHZ-MNZFELGNSA-N.

Identity
Molecular formulaC43H70ClNO12
Molecular weight828.5 g/mol
IUPAC name(1R,9S,12S,13R,14S,17R,18E,21S,23S,24R,25S,27R)-12-[(E)-1-[(1R,3R,4S)-4-chloro-3-methoxycyclohexyl]prop-1-en-2-yl]-17-ethyl-1,14-dihydroxy-23,25-dimethoxy-13,19,21,27-tetramethyl-11,28-dioxa-4-azatricyclo[22.3.1.04,9]octacos-18-ene-2,3,10,16-tetrone;hydrate
InChIKeyNZIZEODSJUZSHZ-MNZFELGNSA-N
SMILESCC[C@@H]1/C=C(/C[C@@H](C[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](CC1=O)O)C)/C(=C/[C@@H]4CC[C@@H]([C@@H](C4)OC)Cl)/C)O)C)OC)OC)C)\C.O

Computed by PubChem (NCBI)

Synonyms: Pimecrolimus hydrate