Aniline mustard
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Aniline mustard
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CAS No:
553-27-5
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Formula:
C10H13Cl2N
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Chemical Name:
Aniline mustard
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Synonyms:
Benzenamine,N,N-bis(2-chloroethyl)-;Aniline,N,N-bis(2-chloroethyl)-;N,N-Bis(2-chloroethyl)benzenamine;β,β′-Dichlorodiethylaniline;N,N-Di(2-chloroethyl)aniline;Lymphochin;Lymphocin;Lymphoquin;N,N-Bis(2-chloroethyl)aniline;NCS-18429;Aniline mustard;N,N-Bis(2′-chloroethyl)aniline;NSC 18429
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CAS No:
Description
Aniline Mustard is an alkylating mustard with antineoplastic activity. Aniline mustard forms covalent linkages with nucleophilic centers, resulting in depurination, base miscoding and strand scission, and crosslinking of DNA strands, all of which contribute to its cytotoxicity. (NCI04)|Alkylating anti-neoplastic agent.
Characteristics
3.2
2.97060
1.19 g/cm3
45 °C
164 °C
137.7ºC
1.563
LD50 orl-rat: 239 mg/kg NCIMR* -,469,69
Drug Information
A class of drugs that differs from other alkylating agents used clinically in that they are monofunctional and thus unable to cross-link cellular macromolecules. Among their common properties are a requirement for metabolic activation to intermediates with antitumor efficacy and the presence in their chemical structures of N-methyl groups, that after metabolism, can covalently modify cellular DNA. The precise mechanisms by which each of these drugs acts to kill tumor cells are not completely understood. (From AMA, Drug Evaluations Annual, 1994, p2026) (See all compounds classified as Antineoplastic Agents, Alkylating.)
Aniline Mustard
Computed Properties
Molecular Weight:218.12
XLogP3:2.9
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:5
Exact Mass:217.0425048
Monoisotopic Mass:217.0425048
Topological Polar Surface Area:3.2
Heavy Atom Count:13
Complexity:118
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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