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Substance Name: Cetraxate hydrochloride [USAN:JAN]
RN: 27724-96-5
UNII: 08IT6P8VHY
InChIKey: USROQQUKEBHOFF-SKKCDYJJSA-N

Classification Codes

  • Anti-Ulcerative (Gastrointestinal)
  • Drug / Therapeutic Agent

Molecular Formula

  • C17-H23-N-O4.Cl-H

Molecular Weight

  • 341.833
 
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Names and Synonyms

Name of Substance

  • Cetraxate hydrochloride [USAN:JAN]

Synonyms

  • 4'-(2-Carboxyethyl)phenyl-trans-4-aminomethylcyclohexane carboxylate hydrochloride
  • Benzenepropanoic acid, 4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)-, hydrochloride, trans-
  • Cetraxate HCl
  • Cetraxate hydrochloride
  • Cetraxato clorhidrato
  • Cetraxato clorhidrato [Spanish]
  • DV 1006
  • DV-1006
  • DV1006
  • Neuer
  • p-Hydroxyhydrocinnamic acid trans-4-(aminomethyl)cyclohexanecarboxylate, hydrochloride
  • UNII-08IT6P8VHY

Systematic Names

  • Benzenepropanoic acid, 4-(((4-(aminomethyl)cyclohexyl)carbonyl)oxy)-, hydrochloride, trans-
  • Hydrocinnamic acid, p-hydroxy-, 4-(aminomethyl)cyclohexanecarboxylate hydrochloride, trans-

Registry Numbers

CAS Registry Number

  • 27724-96-5

FDA UNII

  • 08IT6P8VHY

System Generated Number

  • 0027724965

Molecular Formulas

Molecular Formula

  • C17-H23-N-O4.Cl-H

Molecular Formula Fragments

  • C17-H23-N-O4
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

1S/C17H23NO4.ClH/c18-11-13-1-6-14(7-2-13)17(21)22-15-8-3-12(4-9-15)5-10-16(19)20;/h3-4,8-9,13-14H,1-2,5-7,10-11,18H2,(H,19,20);1H/t13-,14-;

InChIKey

USROQQUKEBHOFF-SKKCDYJJSA-N

Smiles

C1[C@@H](CN)CC[C@@H](C1)C(Oc1ccc(cc1)CCC(O)=O)=O.Cl

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 1520mg/kg (1520mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 265, 1976.
mouse LD50 intravenous 666mg/kg (666mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.
mouse LD50 oral 4310mg/kg (4310mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 935, 1979.
mouse LD50 subcutaneous 4210mg/kg (4210mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.
rat LD50 intraperitoneal 716mg/kg (716mg/kg) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Oyo Yakuri. Pharmacometrics. Vol. 12, Pg. 265, 1976.
rat LD50 intravenous 298mg/kg (298mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.
rat LD50 oral 1503mg/kg (1503mg/kg)   Gekkan Yakuji. Pharmaceuticals Monthly. Vol. 21, Pg. 935, 1979.
rat LD50 subcutaneous 1415mg/kg (1415mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 10, Pg. 710, 1979.