Products 75219-46-4

CAS 75219-46-4 appears in our catalog under these names: Atrimustine, Atrimustine, 98.88%, Atrimustine (Standard). Offered by: Biosynth, MedChemExpress, Chemat. Available pack sizes: 10mg, 5mg, 25mg, 50mg, 100 mg, 50 mg, 10mM/1mL, 5 mg.

Atrimustine
Biosynth
  • size: 10mg, 5mg, 25mg, 50mg
  • Variants: 4
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Atrimustine, 98.88%
MedChemExpress, Chemat
  • size: 100 mg, 50 mg, 10mM/1mL, 5 mg
  • Variants: 10
from 1523.60
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Atrimustine (Standard)
MedChemExpress
  • size: 10 mg, 100 mg, 1 mg, 5 mg
  • Variants: 6
from 1081.31
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Structural formula: {0} (CAS {1})

[(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate (CAS 75219-46-4) is a chemical compound with the molecular formula C41H47Cl2NO6 and a molecular weight of 720.7 g/mol. IUPAC name: [(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate. InChIKey: IFJUINDAXYAPTO-UUBSBJJBSA-N.

Identity
Molecular formulaC41H47Cl2NO6
Molecular weight720.7 g/mol
IUPAC name[(8R,9S,13S,14S,17S)-17-[2-[4-[4-[bis(2-chloroethyl)amino]phenyl]butanoyloxy]acetyl]oxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] benzoate
InChIKeyIFJUINDAXYAPTO-UUBSBJJBSA-N
SMILESC[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)COC(=O)CCCC4=CC=C(C=C4)N(CCCl)CCCl)CCC5=C3C=CC(=C5)OC(=O)C6=CC=CC=C6

Computed by PubChem (NCBI)

Synonyms: Atrimustine, Bestrabucil, Atrimustina, Atrimustinum, Estradiol 3-benzoate 17-glycolate, 4-(p-(bis(2-chloroethyl)amino)phenyl)butyrate, Atrimustine [INN], Bestrabucil;KM2210, Atrimustinum [INN-Latin], Atrimustina [INN-Spanish], Busramustine