chempirical

Ungeremine

C16H12NO3+CAS 72510-04-4266.28 g/mol

Open in Covalent MOL file
HON+OO
AcetalEtherPhenol

Properties

Molecular formula
C16H12NO3+
Molar mass
266.28 g/mol
Exact mass
266.0817 Da
Melting point
270–272 °C (decomposes)
logP
2.27Crippen estimate
Polar surface area
42.6 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
0

Identifiers

CAS number
72510-04-4
SMILES
Oc1cc2c3c(c1)c1cc4c(cc1c[n+]3CC2)OCO4
InChIKey
DFQOXFIPAAMFAU-UHFFFAOYSA-O
InChI
InChI=1S/C16H11NO3/c18-11-3-9-1-2-17-7-10-4-14-15(20-8-19-14)6-12(10)13(5-11)16(9)17/h3-7H,1-2,8H2/p+1

Weigh it out

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

Names and synonyms

5 names
  • [1,3]Dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium, 4,5-dihydro-2-hydroxy-
  • Lycoranium, 1,2,3,3a,6,7,12b,12c-octadehydro-2-hydroxy-
  • 4,5-Dihydro-2-hydroxy[1,3]dioxolo[4,5-j]pyrrolo[3,2,1-de]phenanthridinium
  • Lycobetaine
  • Ungerimine

Work with Ungeremine

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

Similar compounds

Coptisine sulfate1198398-71-837 % similar Nitidine, chloride13063-04-236 % similar Coptisine hydrochloride6020-18-435 % similar Sesamol533-31-334 % similar Berberine2086-83-134 % similar Sanguinarine2447-54-333 % similar Berberine hydrochloride633-65-832 % similar Epiberberine6873-09-232 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook