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Substance Name: Homatropine [INN:BAN]
RN: 87-00-3
UNII: 8QS6WCL55Z
InChIKey: ZTVIKZXZYLEVOL-MCOXGKPRSA-N
Classification Codes
- Autonomic Agents
- Parasympatholytics
- Peripheral Nervous System Agents
Molecular Formula
- C16-H21-N-O3
Molecular Weight
- 275.3459
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Homatropine
- Homatropine [INN:BAN]
Synonyms
- (+-)-Homatropine
- (RS)-3alpha(1alphaH,5alphaH)-Tropanylmandelat
- 3alpha-Tropylmandelat
- 5-21-01-00234 (Beilstein Handbook Reference)
- BRN 0087959
- DL-Mandelsaeure-tropylester
- EINECS 201-716-8
- Homatropin
- Homatropine
- Homoatropine
- Homotropine
- Mandelic acid, 3d-tropanyl ester
- Mandelyltropeine
- Mandelytropeine
- Methylhomatropinum
- Omatropina
- Omatropina [DCIT]
- Tropine, mandelate (ester)
- Tropinmandelsaeureester
- UNII-8QS6WCL55Z
Systematic Names
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester)
- Homatropine
Registry Numbers
CAS Registry Number
- 87-00-3
FDA UNII
- 8QS6WCL55Z
Other Registry Numbers
- 104441-60-3
- 16175-83-0
System Generated Number
- 0000087003
Structure Descriptors
InChI
InChI=1S/C16H21NO3/c1-17-12-7-8-13(17)10-14(9-12)20-16(19)15(18)11-5-3-2-4-6-11/h2-6,12-15,18H,7-10H2,1H3/t12-,13+,14+,15?InChIKey
ZTVIKZXZYLEVOL-MCOXGKPRSA-NSmiles
CN1[C@@H]2CC[C@H]1C[C@H](C2)Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 370mg/kg (370mg/kg) | French Demande Patent Document. Vol. #2035763, | |
| mouse | LD50 | oral | 1307mg/kg (1307mg/kg) | French Demande Patent Document. Vol. #2035763, | |
| mouse | LD50 | subcutaneous | 1800mg/kg (1800mg/kg) | French Demande Patent Document. Vol. #2035763, | |
| rat | LDLo | intraperitoneal | 180mg/kg (180mg/kg) | Toxicology and Applied Pharmacology. Vol. 1, Pg. 156, 1959. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 99.5 | deg C | EXP | |
| log P (octanol-water) | 1.420 | (none) | EST | |
| Water Solubility | 1.00E+04 | mg/L | 15 | EXP |
| Vapor Pressure | 6.98E-08 | mm Hg | 25 | EST |
| Henry's Law Constant | 8.78E-10 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.84E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.