Introduction：Basic information about CAS 87-00-3|Homatropine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Homatropine |
|---|
| CAS Number | 87-00-3 | Molecular Weight | 275.34300 |
|---|
| Density | 1.21 g/cm3 | Boiling Point | 403.3ºC |
|---|
| Molecular Formula | C16H21NO3 | Melting Point | 100ºC |
|---|
| MSDS | / | Flash Point | 197.7ºC |
|---|
Names
| Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] 2-hydroxy-2-phenylacetate |
|---|
| Synonym | More Synonyms |
|---|
Homatropine BiologicalActivity
| Description | Homatropine is an orally active muscarinic acetylcholine receptor antagonist and can be used as an anticholinergic agent[1]. |
|---|
| Related Catalog | Signaling Pathways >>Neuronal Signaling >>mAChRSignaling Pathways >>GPCR/G Protein >>mAChRResearch Areas >>Neurological Disease |
|---|
| In Vitro | Homatropine (20 μM) alone produces a dose ratio of 259 in atrium from guinea-pigs, and produces a dose ratio of only 95.0 when combined with Hexamethonium Bromide (HY-B0569) in atrium from guinea-pigs[1]. Homatropine has affinities for muscarinic receptors in stomach (pA2 = 7.13) and for those in atria mediating force (pA2 = 7.21) and rate (pA2 = 7.07) responses[2]. |
|---|
| In Vivo | Homatropine methylbromide (9 mm x 5 mm conical suppository) causes prompt blockade of the effects of vagal stimulation on pulse rate and of intravenous acetylcholine on blood pressure in rats[3]. Animal Model: Male albino rats[3] Dosage: 9 mm x 5 mm conical suppository Administration: By suppository Result: Blocked cardiovascular responses to vagal stimulation and acetylcholine; 10-20 min after insertion of the suppository the effects of vagal stimulation over a range of 2-16 Hz, 5 V, on pulse rate was virtually abolished and remained unchanged at 45-60 min. |
|---|
Chemical & Physical Properties
| Density | 1.21 g/cm3 |
|---|
| Boiling Point | 403.3ºC |
|---|
| Melting Point | 100ºC |
|---|
| Molecular Formula | C16H21NO3 |
|---|
| Molecular Weight | 275.34300 |
|---|
| Flash Point | 197.7ºC |
|---|
| Exact Mass | 275.15200 |
|---|
| PSA | 49.77000 |
|---|
| LogP | 1.82630 |
|---|
| InChIKey | ZTVIKZXZYLEVOL-DGKWVBSXSA-N |
|---|
| SMILES | CN1C2CCC1CC(OC(=O)C(O)c1ccccc1)C2 |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- YM5600000
- CHEMICAL NAME :
- 1-alpha-H,5-alpha-H-Tropan-3-alpha-ol, mandelate (ester)
- CAS REGISTRY NUMBER :
- 87-00-3
- BEILSTEIN REFERENCE NO. :
- 0087959
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 5
- MOLECULAR FORMULA :
- C16-H21-N-O3
- MOLECULAR WEIGHT :
- 275.38
- WISWESSER LINE NOTATION :
- T56 A ANTJ A1 GOVYQR
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 1,156,1959
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1307 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2035763
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 370 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2035763
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Subcutaneous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1800 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- FRXXBL French Demande Patent Document. (U.S. Patent and Trademark Office, Foreign Patents, Washington, DC 20231) Volume(issue)/page/year: #2035763 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOHS - National Occupational Hazard Survey (1974) NOHS Hazard Code - 84350 No. of Facilities: 170 (estimated) No. of Industries: 1 No. of Occupations: 6 No. of Employees: 2582 (estimated)
|
Safety Information
Customs
| HS Code | 2933990090 |
|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
|---|
Synonyms
| Omatropina [DCIT] |
| Homatropin |
| Homotropine |
| DL-mandelic acid-tropane-3endo-yl ester |
| Homoatropine |
| homatropine |
| Mandelyltropeine |
| Homatropine [BAN] |
| Methylhomatropinum |
| DL-Mandelsaeure-tropan-3endo-ylester |
| EINECS 201-716-8 |
| homatropine hydrobromide |
| 8-methyl-8-azabicyclo[3.2.1]oct-3-yl ester |
| Mandelytropeine |
| MFCD00067305 |
