chempirical

Aristolactam

C17H11NO4CAS 13395-02-3293.28 g/mol

Open in Covalent MOL file
OOOONH
AcetalEther

Properties

Molecular formula
C17H11NO4
Molar mass
293.28 g/mol
Exact mass
293.0688 Da
Melting point
319 °C
logP
3.68Crippen estimate
Polar surface area
60.3 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
13395-02-3
SMILES
COc1cccc2c1cc1c3c(cc4c(c32)OCO4)C(O)=N1
InChIKey
MXOKGWUJNGEKBH-UHFFFAOYSA-N
InChI
InChI=1S/C17H11NO4/c1-20-12-4-2-3-8-9(12)5-11-14-10(17(19)18-11)6-13-16(15(8)14)22-7-21-13/h2-6H,7H2,1H3,(H,18,19)

Weigh it out

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

Names and synonyms

6 names
  • Benzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one, 8-methoxy-
  • 8-Methoxybenzo[f]-1,3-benzodioxolo[6,5,4-cd]indol-5(6H)-one
  • Aristololactam
  • Aristolactam I
  • Aristololactam I
  • NSC 87406

Work with Aristolactam

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

Aristolochic acid313-67-756 % similar 3-Hydroxy-N-(2-methoxyphenyl)-2-naphthalenecarboxamide135-62-640 % similar Aristolochic acid ii475-80-937 % similar 4-Benzoylamino-2,5-dimethoxyaniline6268-05-936 % similar N-(5-Chloro-2-methoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide137-52-036 % similar N-(4-Chloro-2,5-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide4273-92-136 % similar N-(5-Chloro-2,4-dimethoxyphenyl)-3-hydroxy-2-naphthalenecarboxamide92-72-836 % similar 2-Methoxybenzohydrazide7466-54-835 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook