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Substance Name: L-Alanine, N-((3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentyl)carbonyl)-, (1S-trans)-
RN: 114668-70-1
InChIKey: ZVMRXRFVQRLTIW-QEJZJMRPSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C22-H21-Cl2-N-O5

Molecular Weight

  • 450.3159
 
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Names and Synonyms

Synonym

  • (1S-trans)-N-((3-(4-Benzoyl-2,3-dichlorophenoxy)cyclopentyl)carbonyl)-L-alanine

Systematic Name

  • L-Alanine, N-((3-(4-benzoyl-2,3-dichlorophenoxy)cyclopentyl)carbonyl)-, (1S-trans)-

Registry Numbers

CAS Registry Number

  • 114668-70-1

System Generated Number

  • 0114668701

Structure Descriptors

InChI

1S/C22H21Cl2NO5/c1-12(22(28)29)25-21(27)14-7-8-15(11-14)30-17-10-9-16(18(23)19(17)24)20(26)13-5-3-2-4-6-13/h2-6,9-10,12,14-15H,7-8,11H2,1H3,(H,25,27)(H,28,29)/t12-,14-,15-/m0/s1

InChIKey

ZVMRXRFVQRLTIW-QEJZJMRPSA-N

Smiles

C[C@@H](C(=O)O)NC(=O)[C@H]1CC[C@@H](C1)Oc2ccc(c(c2Cl)Cl)C(=O)c3ccccc3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 200mg/kg (200mg/kg)   United States Patent Document. Vol. #4783476,