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Substance Name: Aniline mustard
RN: 553-27-5
UNII: CUJ6745Z9J
InChIKey: ROSJKFFLIXTTAW-UHFFFAOYSA-N

Note

  • Alkylating anti-neoplastic agent.

Molecular Formula

  • C10-H13-Cl2-N

Molecular Weight

  • 218.1257
 

Classification Codes

  • Alkylating Agents
  • Antineoplastic Agents
  • Antineoplastic Agents, Alkylating
  • Drug / Therapeutic Agent
  • Mutation Data
  • Noxae
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Names and Synonyms

Name of Substance

  • Aniline mustard

MeSH Heading

  • Aniline mustard

Synonyms

  • 4-12-00-00253 (Beilstein Handbook Reference)
  • A 14489
  • AI3-31838
  • Aniline mustard
  • Anilinlost
  • Anilinlost [German]
  • beta,beta'-Dichlorodiethylaniline
  • BRN 0880463
  • CB 1074
  • Lymphchin
  • Lymphochin
  • Lymphocin
  • Lymphoquin
  • Lymphoquine
  • Mesylerythrol
  • N,N,-Di(2-chloroethyl)aniline
  • N,N-Bis(2-chloroethyl)aniline
  • N,N-Bis(2-chloroethyl)benzenamine
  • NSC-18429
  • Phenylbis(2-chloroethylamine)
  • SK 592
  • TL 476
  • UNII-CUJ6745Z9J

Systematic Names

  • Aniline, N,N-bis(2-chloroethyl)-
  • Benzenamine, N,N-bis(2-chloroethyl)- (9CI)

Registry Numbers

CAS Registry Number

  • 553-27-5

FDA UNII

  • CUJ6745Z9J

System Generated Number

  • 0000553275

Structure Descriptors

InChI

1S/C10H13Cl2N/c11-6-8-13(9-7-12)10-4-2-1-3-5-10/h1-5H,6-9H2

InChIKey

ROSJKFFLIXTTAW-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mammal (species unspecified) LD50 unreported 100mg/kg (100mg/kg)   Pharmaceutical Bulletin. Vol. 5, Pg. 203, 1957.
mouse LCLo inhalation 500mg/m3/10M (500mg/m3) BEHAVIORAL: IRRITABILITY

LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA
National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. DEC1942,
mouse LD50 intraperitoneal 52mg/kg (52mg/kg)   Progress Report Submitted to the National Cancer Institute by Mason Research Institute. Vol. -, Pg. 469, 1969.
mouse LD50 oral 123mg/kg (123mg/kg)   Progress Report Submitted to the National Cancer Institute by Mason Research Institute. Vol. -, Pg. 469, 1969.
mouse LD50 parenteral 125mg/kg (125mg/kg)   Pharmazie in Unserer Zeit. Vol. 5, Pg. 41, 1976.
rat LD50 intraperitoneal 80mg/kg (80mg/kg)   Journal of Medicinal Chemistry. Vol. 8, Pg. 167, 1965.
rat LD50 oral 239mg/kg (239mg/kg)   Progress Report Submitted to the National Cancer Institute by Mason Research Institute. Vol. -, Pg. 469, 1969.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 45 deg C   EXP
log P (octanol-water) 2.9 (none)   EXP
Water Solubility 118 mg/L 25 EST
Vapor Pressure 9.59E-04 mm Hg 25 EST
Henry's Law Constant 1.87E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.54E-10 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.