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Substance Name: DL-Phenylalanine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt
RN: 52616-29-2
InChIKey: BQHBRMFSBVLTGL-UHFFFAOYSA-M

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C21-H24-Cl2-N2-O3.Na

Molecular Weight

  • 445.32
 
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Names and Synonyms

Synonyms

  • Alanine, N-(3-(bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-phenyl-, sodium salt, DL-
  • DL-N-(3-(Bis(2-chloroethyl)amino)-4-methylbenzoyl)-3-phenylalanine sodium salt
  • N(super alpha)-(3-Di-(2-chloroethyl)amino)-4-methylbenzoyl-DL-phenylalanine sodium salt
  • Sodium salt of N(super alpha)-3-(di-(2-chloroethyl)amino-4-methylbenzoyl)-DL-phenylalanine

Systematic Name

  • DL-Phenylalanine, N-(3-bis(2-chloroethyl)amino-4-methylbenzoyl)-, sodium salt

Registry Numbers

CAS Registry Number

  • 52616-29-2

System Generated Number

  • 0052616292

Molecular Formulas

Molecular Formula

  • C21-H24-Cl2-N2-O3.Na

Molecular Formula Fragments

  • C21-H24-Cl2-N2-O3
  • COMPONENT
  • Na

Structure Descriptors

InChI

1S/C21H24Cl2N2O3.Na/c1-15-7-8-17(14-19(15)25(11-9-22)12-10-23)20(26)24-18(21(27)28)13-16-5-3-2-4-6-16;/h2-8,14,18H,9-13H2,1H3,(H,24,26)(H,27,28);/q;+1/p-1

InChIKey

BQHBRMFSBVLTGL-UHFFFAOYSA-M

Smiles

C(N[C@@H](C(=O)[O-])Cc1ccccc1)(c1cc(N(CCCl)CCCl)c(cc1)C)=O.[Na+]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo unreported 200mg/kg (200mg/kg)   Pharmaceutical Chemistry Journal Vol. 8, Pg. 17, 1974.