Amsacrine

C₂₁H₁₉N₃O₃SCAS 51264-14-3393.46 g/mol

Open in Covalent MOL file

Ether Sulfonamide

Properties

Molecular formula: C₂₁H₁₉N₃O₃S
Molar mass: 393.46 g/mol
Exact mass: 393.1147 Da
Melting point: 230–240 °C
Water solubility: insoluble
logP: 3.93Crippen estimate
Polar surface area: 83.5 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 4

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H341 Suspected of causing genetic defects100% of notifiers
H351 Suspected of causing cancer100% of notifiers
H361d Suspected of damaging the unborn child100% of notifiers

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

Precautionary statements

P203, P261, P264, P270, P272, P280, P301+P316, P302+P352, P318, P321, P330, P333+P317, P362+P364, P405, P501

Identifiers

CAS number

51264-14-3

SMILES

COc1cc(NS(C)(=O)=O)ccc1N=c1c2ccccc2[nH]c2ccccc12

InChIKey

XCPGHVQEEXUHNC-UHFFFAOYSA-N

InChI

InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)

Weigh it out

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

Names and synonyms

19 names · show all

Methanesulfonamide, N-[4-(9-acridinylamino)-3-methoxyphenyl]-
N-[4-(9-Acridinylamino)-3-methoxyphenyl]methanesulfonamide
4′-(9-Acridinylamino)methanesulfon-m-anisidide
NSC 249992
AMSA
Acridinylanisidide
NSC 156303
Amsidine
m-Amsacrine
m-AMSA
SN 21429
Amsidil
Amsidyl
CI 880
SN 11841
Lamasine
Amekrin
Amsalyo
PH 006888

Work with Amsacrine

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

N-Phenylmethanesulfonamide1197-22-438 % similar 2-Methoxy-9H-carbazole6933-49-936 % similar 5-Methylsulfonaminoindole-2-carboxylic acid150975-95-435 % similar 3-(Methylsulfonylamino)phenylboronic acid148355-75-333 % similar N-(4-(2-Aminoacetyl)-5-methoxy-2-phenoxyphenyl)methanesulfonamide hydrochloride149436-41-932 % similar 4-Hydroxy-2-methylquinoline607-67-031 % similar 4-Methoxy-1H-indole-2-carboxylic acid103260-65-731 % similar Methyl 4-methoxy-1H-indole-2-carboxylate111258-23-231 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook