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Substance Name: 1-Piperazinepropionic acid, 4-methyl-, 2,6-xylyl ester, hydrochloride
RN: 102517-15-7
InChIKey: IFLCRUFQQWWOTQ-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C16-H24-N2-O2.Cl-H

Molecular Weight

  • 312.8385
 
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Names and Synonyms

Synonyms

  • 4-Methyl-1-piperazinepropionic acid 2,6-xylyl ester hydrochloride
  • FC 458

Systematic Name

  • 1-Piperazinepropionic acid, 4-methyl-, 2,6-xylyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 102517-15-7

System Generated Number

  • 0102517157

Molecular Formulas

Molecular Formula

  • C16-H24-N2-O2.Cl-H

Molecular Formula Fragments

  • C16-H24-N2-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C16H24N2O2.ClH/c1-13-5-4-6-14(2)16(13)20-15(19)7-8-18-11-9-17(3)10-12-18;/h4-6H,7-12H2,1-3H3;1H

InChIKey

IFLCRUFQQWWOTQ-UHFFFAOYSA-N

Smiles

Cc1cccc(c1OC(=O)CCN2CCN(CC2)C)C.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 865mg/kg (865mg/kg)   Bollettino Chimico Farmaceutico. Vol. 107, Pg. 310, 1968.