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CAS No 5633-20-5 , 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

  • Name: 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
  • Synonyms: Oxybutynine [INN-French]; Oxibutyninum; Ditropan; Oxybutinin; Oxibutinina; Oxybutyninum;4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate; Oxybutynine;Oxytrol;
  • CAS Registry Number:
  • Melting Point: 125 - 130 C
  • Density: 1.097 g/cm3
  • Water Solubility: Soluble (soluble in acids but insoluble in alkalis)
  • Hazard Symbols: UN NO.
  • EINECS: 216-139-7
  • Molecular Weight: 357.48644
  • InchiKey: XIQVNETUBQGFHX-UHFFFAOYSA-N
  • InChI: InChI=1S/C22H31NO3/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
  • Molecular Formula: C22H31NO3
  • Molecular Structure:CAS No:5633-20-5 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

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References of 4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
Title: Oxybutynin
CAS Registry Number: 5633-20-5
CAS Name: a-Cyclohexyl-a-hydroxybenzeneacetic acid 4-(diethylamino)-2-butynyl ester
Synonyms: a-phenylcyclohexaneglycolic acid 4-(diethylamino)-2-butynyl ester; 4-diethylamino-2-butynyl phenylcyclohexylglycolate; oxibutinina
Molecular Formula: C22H31NO3
Molecular Weight: 357.49
Percent Composition: C 73.91%, H 8.74%, N 3.92%, O 13.43%
Literature References: Muscarinic receptor antagonist. Prepn: GB 940540 (1963 to Mead Johnson). Physico-chemical properties: E. Miyamoto et al., Analyst 119, 1489 (1994). GC-MS determn in plasma: K. S. Patrick et al., J. Chromatogr. 487, 91 (1989). Toxicity: E. I. Goldenthal, Toxicol. Appl. Pharmacol. 18, 185 (1971). Review of pharmacodynamics and therapeutic use: Y. E. Yarker et al., Drugs Aging 6, 243-262 (1995).
Properties: pKa 8.04. Log P (n-octanol/water): 2.9 (pH 6). Soly in water (mg/ml): 77 (pH 1); 0.8 (pH 6); 0.012 (pH >9.6).
pKa: pKa 8.04
Log P: Log P (n-octanol/water): 2.9 (pH 6)
 
Derivative Type: Hydrochloride
CAS Registry Number: 1508-65-2
Synonyms: Oxybutynin chloride
Manufacturers' Codes: MJ-4309-1
Trademarks: Cystrin (Sanofi-Synthelabo); Ditropan (Sanofi-Synthelabo); Dridase (Sanofi-Synthelabo); Kentera (UCB); Pollakisu (Kodama); Tropax (BMS)
Molecular Formula: C22H31NO3.HCl
Molecular Weight: 393.95
Percent Composition: C 67.07%, H 8.19%, N 3.56%, O 12.18%, Cl 9.00%
Properties: Crystals, mp 129-130°. Sol in water, acids. Practically insol in alkali. LD50 orally in rats: 1220 mg/kg (Goldenthal).
Melting point: mp 129-130°
Toxicity data: LD50 orally in rats: 1220 mg/kg (Goldenthal)
 
Therap-Cat: In treatment of urinary incontinence.
Keywords: Antimuscarinic.