Products 2694123-92-5

CAS 2694123-92-5 is the registry number for SIMR-2418. Offered by: TargetMol, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, Get quote.

SIMR-2418
TargetMol, MedChemExpress
  • size: 25mg, 50mg, 100mg, Get quote
  • Variants: 4
from 16410.44
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Structural formula: {0} (CAS {1})

(2S,7R)-11-(tert-butylamino)-13,14-bis(4-methoxyphenyl)-7-methyl-8-oxa-15-thia-1-aza-12-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-5,10,12(16),13-tetraen-4-one;trifluoromethanesulfonate (CAS 2694123-92-5) is a chemical compound with the molecular formula C32H34F3N3O7S2 and a molecular weight of 693.8 g/mol. IUPAC name: (2S,7R)-11-(tert-butylamino)-13,14-bis(4-methoxyphenyl)-7-methyl-8-oxa-15-thia-1-aza-12-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-5,10,12(16),13-tetraen-4-one;trifluoromethanesulfonate. InChIKey: RQYCILRAPVZVCZ-FEKQMUGNSA-M.

Identity
Molecular formulaC32H34F3N3O7S2
Molecular weight693.8 g/mol
IUPAC name(2S,7R)-11-(tert-butylamino)-13,14-bis(4-methoxyphenyl)-7-methyl-8-oxa-15-thia-1-aza-12-azoniatetracyclo[8.6.0.02,7.012,16]hexadeca-5,10,12(16),13-tetraen-4-one;trifluoromethanesulfonate
InChIKeyRQYCILRAPVZVCZ-FEKQMUGNSA-M
SMILESC[C@@]12C=CC(=O)C[C@@H]1N3C(=C([N+]4=C3SC(=C4C5=CC=C(C=C5)OC)C6=CC=C(C=C6)OC)NC(C)(C)C)CO2.C(F)(F)(F)S(=O)(=O)[O-]

Computed by PubChem (NCBI)

Synonyms: orb1739938