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Substance Name: CR 612
RN: 57228-51-0
InChIKey: ASPPJGIQPFVUBM-SNYZSRNZSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C28-H33-N3-O4.Cl-H

Molecular Weight

  • 512.047
 
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Names and Synonyms

Results Name

  • CR 612

Synonyms

  • CR 612
  • O-(2-Dimethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-benzylamide hydrochloride

Systematic Name

  • Carbamic acid, (1-((4-(2-(dimethylamino)ethoxy)phenyl)methyl)-2-oxo-2-(benzylamino)ethyl)-, benzyl ester, hydrochloride, (S)-

Registry Numbers

CAS Registry Number

  • 57228-51-0

System Generated Number

  • 0057228510

Molecular Formulas

Molecular Formula

  • C28-H33-N3-O4.Cl-H

Molecular Formula Fragments

  • C28-H33-N3-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C28H33N3O4.ClH/c1-31(2)17-18-34-25-15-13-22(14-16-25)19-26(27(32)29-20-23-9-5-3-6-10-23)30-28(33)35-21-24-11-7-4-8-12-24;/h3-16,26H,17-21H2,1-2H3,(H,29,32)(H,30,33);1H/t26-;/m0./s1

InChIKey

ASPPJGIQPFVUBM-SNYZSRNZSA-N

Smiles

c1(C[C@@H](C(NCc2ccccc2)=O)NC(OCc2ccccc2)=O)ccc(OCC[NH+](C)C)cc1.[ClH-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 87700ug/kg (87.7mg/kg)   United States Patent Document. Vol. #4004008,