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Substance Name: 3-Pyridinepropanamide, beta-(1-aziridinyl)-N-(4-chlorophenyl)-alpha-hydroxy-
RN: 120978-25-8
InChIKey: PPVQHRKKASUGRA-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H16-Cl-N3-O2

Molecular Weight

  • 317.7744
 
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Names and Synonyms

Synonym

  • beta-(1-Aziridinyl)-N-(4-chlorophenyl)-alpha-hydroxy-3-pyridinepropanamide

Systematic Name

  • 3-Pyridinepropanamide, beta-(1-aziridinyl)-N-(4-chlorophenyl)-alpha-hydroxy-

Registry Numbers

CAS Registry Number

  • 120978-25-8

System Generated Number

  • 0120978258

Structure Descriptors

InChI

1S/C16H16ClN3O2/c17-12-3-5-13(6-4-12)19-16(22)15(21)14(20-8-9-20)11-2-1-7-18-10-11/h1-7,10,14-15,21H,8-9H2,(H,19,22)

InChIKey

PPVQHRKKASUGRA-UHFFFAOYSA-N

Smiles

c1cc(cnc1)C(C(C(=O)Nc2ccc(cc2)Cl)O)N3CC3

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 445mg/kg (445mg/kg)   Archivum Immunologiae et Therapiae Experimentalis. Vol. 36, Pg. 249, 1988.