Introduction:Basic information about CAS 66634-44-4|methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodec, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate,hydrochloride |
|---|
| CAS Number | 66634-44-4 | Molecular Weight | 390.90400 |
|---|
| Density | / | Boiling Point | / |
|---|
| Molecular Formula | C21H27ClN2O3 | Melting Point | / |
|---|
| MSDS | / | Flash Point | / |
|---|
Names
| Name | methyl (1S,15R,18S,19S,20S)-18-hydroxy-1,3,11,12,14,15,16,17,18,19,20,21-dodecahydroyohimban-19-carboxylate,hydrochloride |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Molecular Formula | C21H27ClN2O3 |
|---|
| Molecular Weight | 390.90400 |
|---|
| Exact Mass | 390.17100 |
|---|
| PSA | 65.56000 |
|---|
| LogP | 3.38700 |
|---|
| InChIKey | PIPZGJSEDRMUAW-VYDVLXQVSA-N |
|---|
| SMILES | COC(=O)C1C(O)CCC2CN3CCc4c([nH]c5ccccc45)C3CC21.Cl |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- ZG1025000
- CHEMICAL NAME :
- Yohimban-16-beta-carboxylic acid, 17-alpha-hydroxy-, methyl ester, hydrochloride
- CAS REGISTRY NUMBER :
- 66634-44-4
- LAST UPDATED :
- 199706
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C21-H26-N2-O3.Cl-H
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 75 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. (Heymans Institute of Pharmacology, De Pintelaan 185, B-9000 Ghent, Belgium) V.4- 1898- Volume(issue)/page/year: 50,241,1935
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - guinea pig
- DOSE/DURATION :
- 158 mg/kg
- TOXIC EFFECTS :
- Behavioral - altered sleep time (including change in righting reflex) Behavioral - convulsions or effect on seizure threshold Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- CRSBAW Comptes Rendus des Seances de la Societe de Biologie et de Ses Filiales. (SPPIF, B.P.22, F-41353 Vineuil, France) V.1- 1849- Volume(issue)/page/year: 146,1042,1952
|
Synonyms
| Prestwick_751 |
| Rauhimbine |
| 17|A-Hydroxyyohimban-16|A-carboxylic acid methyl ester |
| EINECS 266-430-8 |
| 17alpha-Hydroxyyohimban-16beta-carboxylic acid methyl ester |
| MFCD00064554 |
| Chlorhydrate de corynanthine |