Products 72795-19-8

CAS 72795-19-8 appears in our catalog under these names: ICI-118551, Ici 118551 hydrochloride. Offered by: Chemat Brand, Biosynth. Available pack sizes: on request, 25mg, 10mg, 50mg.

ICI-118551
Chemat Brand
  • size: on request
  • Variants: 1
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Ici 118551 hydrochloride
Biosynth
  • size: 25mg, 10mg, 50mg
  • Variants: 3
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Structural formula: {0} (CAS {1})

ICI 118551 is an indane substituted at position 7 by a methyl group and at position 4 by a 3-(isopropylamino)-2-hydroxybutoxy group (the 2R,3S-diastereomer). It has a role as a beta-adrenergic antagonist. It is an aromatic ether, a secondary alcohol, a member of indanes and a secondary amino compound.

Source: ChEBI

Identity
Molecular formulaC17H27NO2
Molecular weight277.4 g/mol
IUPAC name(2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
InChIKeyVFIDUCMKNJIJTO-BBRMVZONSA-N
SMILESCC1=C2CCCC2=C(C=C1)OC[C@@H]([C@H](C)NC(C)C)O

Computed by PubChem (NCBI)

Synonyms: Ici 118551, (2R,3S)-3-(isopropylamino)-1-((7-methyl-2,3-dihydro-1H-inden-4-yl)oxy)butan-2-ol, (2R,3S)-3-(isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]butan-2-ol, Tocris-0821, Lopac-I-127, Pertuzumab (anti-HER2), VFIDUCMKNJIJTO-BBRMVZONSA-N
Isomers (same molecular formula)
5,6-dimethoxy-N,N-dipropyl-2,3-dihydro-1H-inden-2-amine C17H27NO2
1-[2-(dimethylamino)-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol C17H27NO2
1-[2-[bis(trideuteriomethyl)amino]-1-(4-methoxyphenyl)ethyl]cyclohexan-1-ol C17H27NO2
1-(tert-butylamino)-3-(5,6,7,8-tetrahydronaphthalen-1-yloxy)propan-2-ol C17H27NO2
ethyl 4-(dibutylamino)benzoate C17H27NO2
tert-butyl 2-methyl-3-(3-phenylpropylamino)propanoate C17H27NO2
tert-butyl 3-(4-phenylbutan-2-ylamino)propanoate C17H27NO2
N-[(3-ethoxy-4-methoxyphenyl)methyl]cycloheptanamine C17H27NO2
2-ethylhexyl 4-(dimethylamino)benzoate C17H27NO2
tert-butyl 4-amino-4-methyl-6-phenylhexanoate C17H27NO2
octyl 4-(dimethylamino)benzoate C17H27NO2