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Substance Name: Hexylcaine hydrochloride [USP]
RN: 532-76-3
UNII: V00NQ7SDYI
InChIKey: MTFCPNHRBINLRQ-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C16-H23-N-O2.Cl-H

Molecular Weight

  • 297.824
 
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Names and Synonyms

Name of Substance

  • Hexylcaine hydrochloride [USP]

Synonyms

  • 1-(Cyclohexylamino)-2-propanol benzoate (ester) hydrochloride
  • Benzoic acid, (2-(cyclohexylamino)-1-methyl)ethyl ester, hydrochloride
  • Cyclaine
  • D 109
  • EINECS 208-544-2
  • Hexylcaine HCl
  • Hexylcaine hydrochloride
  • UNII-V00NQ7SDYI

Systematic Names

  • (2-(Benzoyloxy)propyl)cyclohexylammonium chloride
  • 2-Propanol, 1-(cyclohexylamino)-, benzoate (ester), hydrochloride

Registry Numbers

CAS Registry Number

  • 532-76-3

FDA UNII

  • V00NQ7SDYI

Related Registry Number

  • 532-77-4 (Parent)

System Generated Number

  • 0000532763

Molecular Formulas

Molecular Formula

  • C16-H23-N-O2.Cl-H

Molecular Formula Fragments

  • C16-H23-N-O2
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C16H23NO2.ClH/c1-13(12-17-15-10-6-3-7-11-15)19-16(18)14-8-4-2-5-9-14;/h2,4-5,8-9,13,15,17H,3,6-7,10-12H2,1H3;1H

InChIKey

MTFCPNHRBINLRQ-UHFFFAOYSA-N

Smiles

Cl.CC(CNC1CCCCC1)OC(=O)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 intravenous 19mg/kg (19mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 388, 1948.
guinea pig LD50 subcutaneous 166mg/kg (166mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 93, Pg. 388, 1948.
mouse LD50 intravenous 23mg/kg (23mg/kg)   Oyo Yakuri. Pharmacometrics. Vol. 5, Pg. 683, 1971.
mouse LD50 oral 1080mg/kg (1080mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969.
mouse LD50 subcutaneous 1080mg/kg (1080mg/kg)   Compilation of LD50 Values of New Drugs.
rabbit LD50 intravenous 14mg/kg (14mg/kg)   "Handbook of Analytical Toxicology," Sunshine, I., ed., Cleveland, OH, Chemical Rubber Co., 1969Vol. -, Pg. 57, 1969.
rabbit LD50 subcutaneous 164mg/kg (164mg/kg)   Compilation of LD50 Values of New Drugs.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 178 deg C   EXP
log P (octanol-water) 0.900 (none)   EST
Atmospheric OH Rate Constant 5.08E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.