Products 1345728-04-2

CAS 1345728-04-2 appears in our catalog under these names: Naldemedine tosylate, Naldemedine tosylate, Naldemedine (tosylate), 92%, 92%, Naldemedine (tosylate), 92.16%. Offered by: TargetMol, GLPBio, Chemat, MedChemExpress. Available pack sizes: 25mg, 50mg, 100mg, 1mg, 10mg, 5mg, 50 mg, 1 mg.

Naldemedine tosylate
TargetMol
  • size: 25mg, 50mg, 100mg
  • Variants: 3
from 9663.31
View product
Naldemedine tosylate
GLPBio
  • size: 1mg, 10mg, 5mg
  • Variants: 3
from 1299.11
View product
Naldemedine (tosylate), 92%, 92%
Chemat
  • size: 1mg, 5mg, 10mg
  • Variants: 3
from 2301.20
View product
Naldemedine (tosylate), 92.16%
MedChemExpress
  • size: 50 mg, 1 mg, 100 mg, 5 mg
  • Variants: 7
from 1378.52
View product
Structural formula: {0} (CAS {1})

(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide;4-methylbenzenesulfonic acid (CAS 1345728-04-2) is a chemical compound with the molecular formula C39H42N4O9S and a molecular weight of 742.8 g/mol. IUPAC name: (4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide;4-methylbenzenesulfonic acid. InChIKey: WCYDLROFMZJJLE-RTMHEQJQSA-N.

Identity
Molecular formulaC39H42N4O9S
Molecular weight742.8 g/mol
IUPAC name(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-4a,7,9-trihydroxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,4,5,7a,13-hexahydro-4,12-methanobenzofuro[3,2-e]isoquinoline-6-carboxamide;4-methylbenzenesulfonic acid
InChIKeyWCYDLROFMZJJLE-RTMHEQJQSA-N
SMILESCC1=CC=C(C=C1)S(=O)(=O)O.CC(C)(C1=NC(=NO1)C2=CC=CC=C2)NC(=O)C3=C([C@H]4[C@@]56CCN([C@@H]([C@@]5(C3)O)CC7=C6C(=C(C=C7)O)O4)CC8CC8)O

Computed by PubChem (NCBI)

Synonyms: Naldemedine tosylate, Symproic, naldemedine tosilate, Naldemedine (tosylate), Naldemedine tosylate [USAN], Symproic (TN), orb1738551, NALDEMEDINE TOSYLATE [MI], Naldemedine tosylate (JAN/USAN), NALDEMEDINE TOSILATE [JAN]