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Substance Name: ortho-Phenylalanine mustard
RN: 342-95-0
InChIKey: ZJHNCWIVJDCKSB-UHFFFAOYSA-N

Molecular Formula

  • C13-H18-Cl2-N2-O2

Molecular Weight

  • 305.2032
 
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Names and Synonyms

Results Name

  • ortho-Phenylalanine mustard

Synonyms

  • (+-)-o-Phenylalanine mustard
  • 2-(Bis(2-Chloroethyl)amino)phenylalanine
  • 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-D,L-alanine
  • 3-(o-(Bis(beta-chloroethyl)amino)phenyl)-DL-alanine
  • AI3-50754
  • CB 1729
  • DL-Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-
  • DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)-
  • FDA 0109
  • Merophan
  • NSC-57199
  • o-Di-2-chloroethylamino-DL-phenylalanine
  • o-DL-Sarcolysin
  • o-Phenylalanine mustard
  • o-Sarcolysin
  • ortho-Phenylalanine mustard

Systematic Names

  • Alanine, 3-(o-(bis(2-chloroethyl)amino)phenyl)-, DL-
  • DL-Phenylalanine, 2-(bis(2-chloroethyl)amino)- (9CI)
  • Phenylalanine, 2-(bis(2-chloroethyl)amino)-

Registry Numbers

CAS Registry Number

  • 342-95-0

Other Registry Number

  • 23255-74-5

System Generated Number

  • 0000342950

Structure Descriptors

InChI

1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)12-4-2-1-3-10(12)9-11(16)13(18)19/h1-4,11H,5-9,16H2,(H,18,19)

InChIKey

ZJHNCWIVJDCKSB-UHFFFAOYSA-N

Smiles

c1(c(CC(C(=O)O)N)cccc1)N(CCCl)CCCl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 190ug/kg (0.19mg/kg) BLOOD: THROMBOCYTOPENIA

BLOOD: OTHER CHANGES

BLOOD: LEUKOPENIA
Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965.
monkey LDLo intravenous 380ug/kg (0.38mg/kg) BLOOD: OTHER CHANGES

BLOOD: LEUKOPENIA
Cancer Chemotherapy Reports, Part 2. Vol. 2, Pg. 201, 1965.
mouse LD50 subcutaneous 18480ug/kg (18.48mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intraperitoneal 3510ug/kg (3.51mg/kg)   Biochemical Pharmacology. Vol. 13, Pg. 969, 1964.