chempirical

HL 275 hydrochloride

C21H21Cl2NO5CAS 131740-09-5438.30 g/mol

Open in Covalent MOL file
NHOOHOClOOHHCl
AlcoholAryl halidePhenolTertiary amine

Properties

Molecular formula
C21H21Cl2NO5
Molar mass
438.30 g/mol
Exact mass
437.0797 Da
logP
3.73Crippen estimate
Polar surface area
94.1 Ų
H-bond donors / acceptors
3 / 6
Rotatable bonds
2
Stereocentres
R, Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
131740-09-5
SMILES
CN1CC[C@H](c2c(O)cc(O)c3c(=O)cc(-c4ccccc4Cl)oc23)[C@H](O)C1.Cl
InChIKey
LGMSNQNWOCSPIK-LWHGMNCYSA-N
InChI
InChI=1S/C21H20ClNO5.ClH/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22;/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3;1H/t12-,17+;/m0./s1

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride (1:1)
  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-(3-hydroxy-1-methyl-4-piperidinyl)-, hydrochloride, cis-(-)-
  • 4H-1-Benzopyran-4-one, 2-(2-chlorophenyl)-5,7-dihydroxy-8-[(3S,4R)-3-hydroxy-1-methyl-4-piperidinyl]-, hydrochloride
  • NSC 649890
  • Alvocidib hydrochloride
  • MDL 107826A
  • L 868275 Hydrochloride
  • HMR 1275 hydrochloride
  • L 86-8275 Hydrochloride
  • 2-(2-Chlorophenyl)-5,7-dihydroxy-8-((3S,4R)-3-hydroxy-1-methylpiperidin-4-yl)-4H-chromen-4-one hydrochloride
  • Flavopiridol hydrochloride

Work with HL 275 hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Alvocidib146426-40-6Free base

Similar compounds

Wogonin632-85-935 % similar Vitexin3681-93-435 % similar Orientin28608-75-534 % similar (1S)-1,5-Anhydro-1-(5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-4H-1-benzopyran-8-yl)-4-O-beta-D-glucopyranosyl-D-glucitol178468-00-331 % similar 2-(3,4-Dihydroxyphenyl)-8-(2-O-beta-L-galactopyranosyl-beta-D-glucopyranosyl)-5,7-dihydroxy-4H-1-benzopyran-4-one861691-37-431 % similar Techtochrysin520-28-531 % similar Vitexin 2′′-O-rhamnoside64820-99-131 % similar Sciadopitysin521-34-630 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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