Articles:
| Info: | Atropine |
benzeneacetic acid, a-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)-
Notes:
None found
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| CAS Number: | 101-31-5 |  3D/inchi
|
| Other(deleted CASRN): | 1892-81-5 | |
| ECHA EINECS - REACH Pre-Reg: | 202-933-0 | |
| FDA UNII: | PX44XO846X | |
| Beilstein Number: | 0091258 | |
| MDL: | MFCD00067306 | |
| XlogP3: | 1.80 (est) | |
| Molecular Weight: | 289.37491000 | |
| Formula: | C17 H23 N O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: toxic natural substances
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 108.50 °C. @ 760.00 mm Hg |
| Boiling Point: | 429.80 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 417.00 °F. TCC ( 213.70 °C. ) (est) |
| logP (o/w): | 1.380 (est) |
| Soluble in: | |
| water, 3560 mg/L @ 20 °C (exp) | |
| water, 3944 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfa Biotechnology |
| For experimental / research use only. |
| L-Hyoscyamine 98% |
| BOC Sciences |
| For experimental / research use only. |
| (-)-Hyoscyamine >98%
Odor: characteristic Use: Hyoscyamine is an AChR inhibitor with IC50 of 7.5 nM. |
| ExtraSynthese |
| For experimental / research use only. |
| L-Hyoscyamine (HPLC) ≥90% |
| Sigma-Aldrich: Sigma |
| For experimental / research use only. |
| L-Hyoscyamine ≥98% (TLC), powder |
Safety Information:
| Preferred SDS: View | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
|
unreported-man LDLo 1471 ug/kg "Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970. intravenous-mouse LD50 95 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE British Journal of Pharmacology and Chemotherapy. Vol. 24, Pg. 138, 1965. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | toxic natural substances | ||
| Recommendation for (+)-hyoscyamine usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for (+)-hyoscyamine flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| European Food Safety Authority (EFSA) reference(s): | |
| Scientific Opinion on Tropane alkaloids in food and feed View page or View pdf | |
| Human acute exposure assessment to tropane alkaloids View page or View pdf | |
| EPI System: | View |
| ClinicalTrials.gov: | search |
| Daily Med: | search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 101-31-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 25817 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate | |
| Chemidplus: | 0000101315 |
| RTECS: | NH0875000 for cas# 101-31-5 |
References:
| (8-methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 25817 |
| Pubchem (sid): | 135023232 |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| MedlinePlusSupp: | View |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| (+)- | atropine |
| benzeneacetic acid, a-(hydroxymethyl)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, (3(R)-endo)- | |
| R-(+)- | hyoscyamine |
| hyoscyamine (D)- | |
| hyoscyamine, (+)- | |
| (8- | methyl-8-azabicyclo[3.2.1]octan-3-yl)(2R)-3-hydroxy-2-phenylpropanoate |