Introduction：Basic information about CAS 54-03-5|hexobendine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | hexobendine |
|---|
| CAS Number | 54-03-5 | Molecular Weight | 592.67800 |
|---|
| Density | 1.147g/cm3 | Boiling Point | 623.3ºC at 760mmHg |
|---|
| Molecular Formula | C30H44N2O10 | Melting Point | / |
|---|
| MSDS | / | Flash Point | 330.8ºC |
|---|
Names
| Name | hexobendine |
|---|
| Synonym | More Synonyms |
|---|
Chemical & Physical Properties
| Density | 1.147g/cm3 |
|---|
| Boiling Point | 623.3ºC at 760mmHg |
|---|
| Molecular Formula | C30H44N2O10 |
|---|
| Molecular Weight | 592.67800 |
|---|
| Flash Point | 330.8ºC |
|---|
| Exact Mass | 592.30000 |
|---|
| PSA | 114.46000 |
|---|
| LogP | 3.39580 |
|---|
| Index of Refraction | 1.525 |
|---|
| InChIKey | KRQAMFQCSAJCRH-UHFFFAOYSA-N |
|---|
| SMILES | COc1cc(C(=O)OCCCN(C)CCN(C)CCCOC(=O)c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- DI0220000
- CHEMICAL NAME :
- Benzoic acid, 3,4,5-trimethoxy-, diester with 3,3'-(ethylenebis(methylimino))di-1-propanol
- CAS REGISTRY NUMBER :
- 54-03-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C30-H44-N2-O10
- MOLECULAR WEIGHT :
- 592.76
- WISWESSER LINE NOTATION :
- 1OR BO1 CO1 EVO3N1&2N1&3OVR CO1 DO1 EO1
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 34 mg/kg
- TOXIC EFFECTS :
- Behavioral - tremor Behavioral - convulsions or effect on seizure threshold Behavioral - ataxia
- REFERENCE :
- PJPPAA Polish Journal of Pharmacology and Pharmacy. (ARS Polona, POB 1001, 00-068 Warsaw 1, Poland) V.25- 1973- Volume(issue)/page/year: 32,823,1980
|
Synonyms
| Hexabendin |
| Hexabendine |
| Hexobendin |
