Aristolactam

C₁₇H₁₁NO₄CAS 13395-02-3293.28 g/mol

Open in Covalent MOL file

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 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 1

Hazards

Danger

H300+H310+H330 Fatal if swallowed, in contact with skin or if inhaled50% of notifiers
H300 Fatal if swallowed100% of notifiers
H310 Fatal in contact with skin100% of notifiers
H330 Fatal if inhaled100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P260, P262, P264, P270, P271, P280, P284, P301+P316, P302+P352, P304+P340, P316, P318, P320, P321, P330, P361+P364, P403+P233, P405, P501

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 5'-Chloro-3-hydroxy-2',4'-dimethoxy-2-naphthanilide92-72-836 % similar 1,3-Benzodioxole-4-carboxylic acid5768-39-835 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook