Articles:
methyl (16a,17a,20a)-17-hydroxyyohimban-16-carboxylate
Notes:
None found
| CAS Number: | 522-94-1 |  3D/inchi
|
| FDA UNII: | 60AHA8MSG9 | |
| Nikkaji Web: | J6.628A | |
| Beilstein Number: | 097278 | |
| XlogP3: | 2.90 (est) | |
| Molecular Weight: | 354.44982000 | |
| Formula: | C21 H26 N2 O3 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Boiling Point: | 543.00 °C. @ 760.00 mm Hg (est) |
| Flash Point: | 540.00 °F. TCC ( 282.20 °C. ) (est) |
| logP (o/w): | 2.200 (est) |
| Soluble in: | |
| water, 401.8 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Coompo |
| For experimental / research use only. |
| allo-Yohimbine from Plants ≥98% |
Safety Information:
| 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: | |
|
oral-mouse LDLo 2500 mg/kg "Structure et Activite Pharmacodyanmique des Medicaments du Systeme Nerveux Vegetatif," Bovet, D., and F. Bovet-Nitti, New York, S. Karger, 1948Vol. -, Pg. 317, 1948. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for allo-yohimbine usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for allo-yohimbine flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 120716 |
| National Institute of Allergy and Infectious Diseases: | Data |
| methyl (1S,15S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate | |
| Chemidplus: | 0000522941 |
References:
| methyl (1S,15S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 120716 |
| Pubchem (sid): | 135076675 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| 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:
| alloyohimbin | |
| alloyohimbine | |
| (16-alpha,17-alpha,20-alpha)-17- | hydroxyyohimban-16-carboxylic acid methyl ester |
| (16a,17a,20a)-17- | hydroxyyohimban-16-carboxylic acid methyl ester |
| methyl (16a,17a,20a)-17-hydroxyyohimban-16-carboxylate | |
| methyl (1S,15S,18S,19R,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate | |
| yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16-a,17-a,20-a)- | |
| yohimban-16-carboxylic acid, 17-hydroxy-, methyl ester, (16a,17a,20a)- |