Mechlorethamine hydrochloride - CAS 55-86-7
Catalog: |
BB029204 |
Product Name: |
Mechlorethamine hydrochloride |
CAS: |
55-86-7 |
Synonyms: |
2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride |
Application: |
Alkylating agents; antineoplastic agents, Alkylating; |
IUPAC Name: | 2-chloro-N-(2-chloroethyl)-N-methylethanamine;hydrochloride |
Description: | Mechlorethamine is the prototype of alkylating agents, it works by binding to DNA, crosslinking two strands and preventing cell duplication. |
Molecular Weight: | 192.51 |
Molecular Formula: | C5H12Cl3N |
Canonical SMILES: | CN(CCCl)CCCl.Cl |
InChI: | InChI=1S/C5H11Cl2N.ClH/c1-8(4-2-6)5-3-7;/h2-5H2,1H3;1H |
InChI Key: | QZIQJVCYUQZDIR-UHFFFAOYSA-N |
Boiling Point: | 110.3 ℃ at 760 mmHg |
Melting Point: | 226 to 232 °F |
Purity: | > 98 % |
Density: | 1.106 g/cm3 |
Solubility: | greater than or equal to 100 mg/mL at 66 °F |
Appearance: | Hygroscopic leaflets from acetone or chloroform |
MDL: | MFCD00012517 |
LogP: | 2.19780 |
pH: | Initial pH of 2% aqueous solution: 3.0-4.0 |
Stability: | Storage and shelf-life of unopened container: two years when stored at 2-15 °C |
GHS Hazard Statement: | H300+H310 (97.44%): Fatal if swallowed or in contact with skin [Danger Acute toxicity, oral; acute toxicity, dermal] |
Precautionary Statement: | P201, P202, P260, P262, P264, P270, P280, P281, P301+P310, P301+P330+P331, P302+P350, P303+P361+P353, P304+P340, P305+P351+P338, P308+P313, P310, P321, P322, P330, P361, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
31639410 | 20200201 | Nitrogen mustard prevents transport of Fra-1 into the nucleus to promote c-Fos- and FosB-dependent IL-8 induction in injured mouse epidermis | Toxicology letters |
30060251 | 20181101 | Protective Role of Surfactant Protein-D Against Lung Injury and Oxidative Stress Induced by Nitrogen Mustard | Toxicological sciences : an official journal of the Society of Toxicology |
29174984 | 20180901 | Efficacy of anti-inflammatory, antibiotic and pleiotropic agents in reversing nitrogen mustard-induced injury in ex vivo cultured rabbit cornea | Toxicology letters |
29792945 | 20180801 | Cross-linking by epichlorohydrin and diepoxybutane correlates with cytotoxicity and leads to apoptosis in human leukemia (HL-60) cells | Toxicology and applied pharmacology |
28720507 | 20170815 | Formation and degradation of nitrogen mustard-induced MGMT-DNA crosslinking in 16HBE cells | Toxicology |
Complexity: | 43.7 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 191.003532 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 1 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 191.003532 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 3.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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