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Substance Name: Oxybutynin chloride [USAN:USP]
RN: 1508-65-2
UNII: L9F3D9RENQ
InChIKey: SWIJYDAEGSIQPZ-UHFFFAOYSA-N

Classification Codes

  • Anticholinergic
  • Drug / Therapeutic Agent
  • Human Data
  • Reproductive Effect
  • Skin / Eye Irritant

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Weight

  • 393.9518
 
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Names and Synonyms

Name of Substance

  • Oxybutynin chloride [USAN:USP]

Synonyms

  • 4-(Diethylamino)-2-butynyl (+-)-alpha-phenylcyclohexaneglycolate hydrochloride
  • 4-(Diethylamino)-2-butynyl alpha-phenylcyclohexaneglycolate hydrochloride
  • 4-Diethylamino-2-butynyl phenyl(cyclohexyl)glycolate hydrochloride
  • 5058
  • alpha-Phenylcyclohexaneglycolic acid 4-(diethylamino)-2-butynyl ester hydrochloride
  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester hydrochloride, (+-)-
  • Ditropan
  • Ditropan XL
  • Dridase
  • EINECS 216-139-7
  • Gelnique
  • MJ 4309-1
  • NSC 759108
  • Oxibutinina hydrochloride
  • Oxybutynin chloride
  • Oxybutynin hydrochloride
  • Tropax
  • UNII-L9F3D9RENQ

Systematic Names

  • 4-(Diethylamino)but-2-ynyl cyclohexylphenylglycolate hydrochloride
  • Benzeneacetic acid, alpha-cyclohexyl-alpha-hydroxy-, 4-(diethylamino)-2-butynyl ester hydrochloride
  • Cyclohexaneglycolic acid, alpha-phenyl-, 4-(diethylamino)-2-butynyl ester, hydrochloride

Registry Numbers

CAS Registry Number

  • 1508-65-2

FDA UNII

  • L9F3D9RENQ

Related Registry Number

  • 5633-20-5 (Parent)

System Generated Number

  • 0001508652

Molecular Formulas

Molecular Formula

  • C22-H31-N-O3.Cl-H

Molecular Formula Fragments

  • C22-H31-N-O3
  • Cl-H
  • COMPONENT

Structure Descriptors

InChI

InChI=1S/C22H31NO3.ClH/c1-3-23(4-2)17-11-12-18-26-21(24)22(25,19-13-7-5-8-14-19)20-15-9-6-10-16-20;/h5,7-8,13-14,20,25H,3-4,6,9-10,15-18H2,1-2H3;1H

InChIKey

SWIJYDAEGSIQPZ-UHFFFAOYSA-N

Smiles

Cl.CCN(CC)CC#CCOC(=O)C(O)(C1CCCCC1)c2ccccc2

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LD50 oral > 400mg/kg (400mg/kg)   Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse LD50 intraperitoneal 185mg/kg (185mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11090,
mouse LD50 oral 725mg/kg (725mg/kg) AUTONOMIC NERVOUS SYSTEM: PARASYMPATHOLYTIC Archives Internationales de Pharmacodynamie et de Therapie. Vol. 156, Pg. 467, 1965.
mouse LD50 subcutaneous 2225mg/kg (2225mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intraperitoneal 223mg/kg (223mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 intravenous 61mg/kg (61mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 oral 460mg/kg (460mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
rat LD50 subcutaneous 740mg/kg (740mg/kg)   Iyakuhin Kenkyu. Study of Medical Supplies. Vol. 19, Pg. 735, 1988.
women TDLo oral 2mg/kg (2mg/kg) CARDIAC: CHANGE IN RATE

SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

BEHAVIORAL: COMA		 Human & Experimental Toxicology. Vol. 10, Pg. 225, 1991.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 129.5 deg C   EXP
log P (octanol-water) 1.890 (none)   EST
Atmospheric OH Rate Constant 7.75E-11 cm3/molecule-sec 25 EST

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