(2S,3R)-1-[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]-3-(PROPAN-2-YLAMINO)BUTAN-2-OL | CAS No. 72795-19-8

Basic Information

(2S,3R)-1-[(7-METHYL-2,3-DIHYDRO-1H-INDEN-4-YL)OXY]-3-(PROPAN-2-YLAMINO)BUTAN-2-OL

CAS Number

72795-19-8

Molecular Formula

C17H27NO2

Molecular Weight

277.41 g/mol

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Basic Physical Properties

Density

1.045±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

CC1=C2CCCC2=C(C=C1)OCC(C(C)NC(C)C)O

InChI

InChI=1S/C17H27NO2/c1-11(2)18-13(4)16(19)10-20-17-9-8-12(3)14-6-5-7-15(14)17/h8-9,11,13,16,18-19H,5-7,10H2,1-4H3/t13-,16-/m1/s1

InChIKey

VFIDUCMKNJIJTO-CZUORRHYSA-N

LogP

2.6099200000000007

Topological Polar Surface Area

41.489999999999995 Ų

Hydrogen Bond Donor/Acceptor

2 / 3

Complexity

295

Classification & Uses

Safety Information

Synonyms & References

English

  • Q27078025
  • CHEMBL198059
  • (2R,3S)-3-(isopropylamino)-1-((7-methyl-2,3-dihydro-1H-inden-4-yl)oxy)butan-2-ol
  • 72795-26-7
  • (2R,3S)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]-3-(propan-2-ylamino)butan-2-ol
  • 72795-26-7 (free base)
  • Ici 118551
  • ICI-118551 free base
  • ICI-118551
  • 2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (R*,S*)-(+-)-
  • 2-Butanol, 1-((2,3-dihydro-7-methyl-1H-inden-4-yl)oxy)-3-((1-methylethyl)amino)-, (2R,3S)-rel-
  • NCGC00015535-02
  • 72795-19-8
  • 2-Butanol, 1-[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-, [R-(R*,S*)]-
  • CHEBI:73289
  • BDBM27960
  • NCGC00485130-01
  • ICI118551
  • 72795-20-1
  • DTXSID401118341
  • Tocris-0821
  • NCGC00024805-01
  • SCHEMBL8027938
  • (2R,3S)-3-(isopropylamino)-1-[(7-methyl-2,3-dihydro-1H-inden-4-yl)oxy]butan-2-ol
  • NCGC00015535-01
  • Lopac-I-127
  • 2-Butanol,1-[(2,3-dihydro-7-methyl-1H-inden-4-yl)oxy]-3-[(1-methylethyl)amino]-,(2R,3S)-rel-
  • ICI 118,551 hydrochloride
  • ICI-118,551
  • Ici 111,581
  • ICI-118-551 HYDROCHLORIDE HIGHLY SELECTI VE B2 A

MDL_Number

MFCD01074480

CAS Number

72795-19-8

Supplier Information

Supplier Name Member Level Authentication Status Main Category MOQ Action
ChinaChina - Hubei Qingbei Yunchen Medicine Technology Co., Ltd.
ChinaChina - Wuhan Sike Kai Technology Co., Ltd.