Input interpretation
mechlorethamine hydrochloride
Chemical names and formulas
formula | (ClCH_2CH_2)_2NCH_3·HCl Hill formula | C_5H_12Cl_3N name | mechlorethamine hydrochloride IUPAC name | 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride alternate names | 2-chloro-N-(2-chloroethyl)-N-methylethanamine | 2-chloro-N-(2-chloroethyl)-N-methyl-ethanamine hydrochloride | 2-chloro-N-(2-chloroethyl)-N-methylethanamine hydrochloride | bis(2-chloroethyl)methylamine | bis(2-chloroethyl)-methyl-amine hydrochloride | N-methylbis(2-chloroethyl)amine hydrochloride mass fractions | C (carbon) 31.2% | Cl (chlorine) 55.2% | H (hydrogen) 6.28% | N (nitrogen) 7.28%
Structure diagram
Structure diagram
Basic properties
molar mass | 192.5 g/mol phase | solid (at STP) melting point | 109.5 °C
Units
Hydrophobicity and permeability properties
experimental LogP hydrophobicity | 1.6 predicted LogP hydrophobicity | 1.31 predicted LogS | -0.67
Basic drug properties
approval status | approved | small molecule drug categories | alkylating agent | alkylating antineoplastic agent | chemical warfare agent | irritant dosage forms | intravenous: injection, powder, for solution | topical: powder
brand names | caryolysin | caryolysine | cloramin | dichloren | embichin | mustargen | mutagen
Chemical identifiers
CAS number | 55-86-7 PubChem CID number | 5935 PubChem SID number | 24847496 SMILES identifier | CN(CCCl)CCCl.Cl InChI identifier | InChI=1/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2, 1H3;1H InChI key | HAWPXGHAZFHHAD-UHFFFAOYAG RTECS number | IA2100000 MDL number | MFCD00012517