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Substance Name: Medphalan
RN: 13045-94-8
UNII: 94H892992X
InChIKey: SGDBTWWWUNNDEQ-GFCCVEGCSA-N

Molecular Formula

  • C13-H18-Cl2-N2-O2

Molecular Weight

  • 305.2032
 

Classification Codes

Classification Codes

  • Mutation Data
  • Tumor Data

Superlist Classification Code

  • Overall Carcinogenic Evaluation: Group 3
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Names and Synonyms

Results Name

  • Medphalan

Name of Substance

  • Sarcolysine, D-

Synonyms

  • (+)-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
  • (p-Di(2-chloroethyl)amino-D-phenyl)alanine
  • 3026 C. B.
  • 3026 C.B.
  • 4-(Bis(2-chloroethyl)amino)-D-phenylalanine
  • CB-3026
  • D-3-(p-(Bis(2-chloroethyl)amino)phenyl)alanine
  • D-Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-
  • D-Phenylalanine mustard
  • D-Sarcolysin
  • D-Sarcolysine
  • Medfalan
  • Medphalan
  • NSC 35051
  • p-Di(2-chloroethyl)amino-d-phenylalanine
  • UNII-94H892992X

Systematic Names

  • Alanine, 3-(p-(bis(2-chloroethyl)amino)phenyl)-, D-
  • D-Phenylalanine, 4-(bis(2-chloroethyl)amino)- (9CI)

Superlist Name

  • Medphalan

Registry Numbers

CAS Registry Number

  • 13045-94-8

FDA UNII

  • 94H892992X

System Generated Number

  • 0013045948

Structure Descriptors

InChI

1S/C13H18Cl2N2O2/c14-5-7-17(8-6-15)11-3-1-10(2-4-11)9-12(16)13(18)19/h1-4,12H,5-9,16H2,(H,18,19)/t12-/m1/s1

InChIKey

SGDBTWWWUNNDEQ-GFCCVEGCSA-N

Smiles

c1(N(CCCl)CCCl)ccc(C[C@@H](C(O)=O)N)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intracrebral 113ug/kg (0.113mg/kg)   Journal of Pharmacy and Pharmacology. Vol. 18, Pg. 760, 1966.