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Home> Hot Product Listed +   > (+)-KL 255 hydrochloride
51093-55-1 structure

(+)-KL 255 hydrochloride

Iupac Name:8-(dimethylamino)-7-methyl-10-(2,3,4,5-tetrahydroxypentyl)benzo[g]pteridine-2,4-dione
CAS No.:51093-55-1
Molecular Weight:405.411
Molecular Formula: (isomer)
Names and Identifiers
Synonyms

(+)-Bupranolol hydrochloride 2-Propanol, 1-(2-chloro-5-methylphenoxy)-3-[(1,1-dimethylethyl)amino]-, hydrochloride, (R)- bupranolol hydrochloride

Inchi
InChI=1S/C18H23N5O6/c1-8-4-9-11(5-10(8)22(2)3)23(6-12(25)15(27)13(26)7-24)16-14(19-9)17(28)21-18(29)20-16/h4-5,12-13,15,24-27H,6-7H2,1-3H3,(H,21,28,29)
InChkey
IGQLDUYTWDABFK-UHFFFAOYSA-N
Canonical Smiles
CC1=CC2=C(C=C1N(C)C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(CO)O)O)O
Properties
Melting Point
276-278°C
Boiling Point
313.1°C at 760 mmHg
Refractive Index
1.714
Flash Point
170.2°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:405.411g/mol
  • Molecular Formula:
  • Compound Is Canonicalized:True
  • XLogP3-AA:_1.7
  • Exact Mass:405.165
  • Monoisotopic Mass:405.165
  • Complexity:726
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:5
  • Hydrogen Bond Acceptor Count:8
  • Topological Polar Surface Area:158A^2
  • Heavy Atom Count:29
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:3
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7uAAAAAAAAAAAAAAAAAAAAAAAAAAwQIAAAAAAAACBAAAAHgAQCAAADBzhmAYzwIPAAgCo AydydACCAAEhAgABiAEodIiLcCrA2dGUYAhnhSLZyAfwkAIOCACAQAQCACAQAQCACAQAQAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-27-87465837
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  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
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