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Substance Name: Carbamic acid, (1-((4-(2-diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-
RN: 57228-42-9
InChIKey: NMMRDLUHILKXKV-YCBFMBTMSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C29-H43-N3-O4.C2-H2-O4

Molecular Weight

  • 587.709
 
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Names and Synonyms

Synonyms

  • CR 830
  • O-(2-Diethylaminoethyl)-N-carbobenzoxy-L-tyrosyl-di-n-propylamide oxalate

Systematic Name

  • Carbamic acid, (1-((4-(2-diethylamino)ethoxy)phenyl)methyl)-2-(dipropylamino)-2-oxoethyl)-, benzyl ester, oxalate, (S)-

Registry Numbers

CAS Registry Number

  • 57228-42-9

System Generated Number

  • 0057228429

Molecular Formulas

Molecular Formula

  • C29-H43-N3-O4.C2-H2-O4

Molecular Formula Fragments

  • C2-H2-O4
  • C29-H43-N3-O4
  • COMPONENT

Structure Descriptors

InChI

1S/C29H43N3O4.C2H2O4/c1-5-18-32(19-6-2)28(33)27(30-29(34)36-23-25-12-10-9-11-13-25)22-24-14-16-26(17-15-24)35-21-20-31(7-3)8-4;3-1(4)2(5)6/h9-17,27H,5-8,18-23H2,1-4H3,(H,30,34);(H,3,4)(H,5,6)/t27-;/m0./s1

InChIKey

NMMRDLUHILKXKV-YCBFMBTMSA-N

Smiles

C([C@@H](C(N(CCC)CCC)=O)NC(OCc1ccccc1)=O)c1ccc(cc1)OCC[NH+](CC)CC.C(C(=O)[O-])(O)=O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 intravenous 31500ug/kg (31.5mg/kg)   United States Patent Document. Vol. #4004008,