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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
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Formulas
- Structure Descriptors
- Toxicity
- Physical Properties
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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;1HInChIKey
SWIJYDAEGSIQPZ-UHFFFAOYSA-NSmiles
Cl.CCN(CC)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.