Introduction：Basic information about CAS 303-33-3|Heliotrine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | Heliotrine |
|---|
| CAS Number | 303-33-3 | Molecular Weight | 313.389 |
|---|
| Density | 1.2±0.1 g/cm3 | Boiling Point | 450.7±45.0 °C at 760 mmHg |
|---|
| Molecular Formula | C16H27NO5 | Melting Point | 125-126 °C |
|---|
| MSDS | / | Flash Point | 226.4±28.7 °C |
|---|
Names
| Name | heliotrine |
|---|
| Synonym | More Synonyms |
|---|
Heliotrine BiologicalActivity
| Description | Heliotrine is a monoester pyrrolizidine alkaloid and is used for obtaining models of hepatitis and cirrhosis of the liver[1]. |
|---|
| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
|---|
| References | [1]. R Schoental, et al. Pancreatic Islet-Cell and Other Tumors in Rats Given Heliotrine, a Monoester Pyrrolizidine Alkaloid, and Nicotinamide. Cancer Res. 1975 Aug;35(8):2020-4. |
|---|
Chemical & Physical Properties
| Density | 1.2±0.1 g/cm3 |
|---|
| Boiling Point | 450.7±45.0 °C at 760 mmHg |
|---|
| Melting Point | 125-126 °C |
|---|
| Molecular Formula | C16H27NO5 |
|---|
| Molecular Weight | 313.389 |
|---|
| Flash Point | 226.4±28.7 °C |
|---|
| Exact Mass | 313.188934 |
|---|
| PSA | 79.23000 |
|---|
| LogP | 1.04 |
|---|
| Vapour Pressure | 0.0±2.5 mmHg at 25°C |
|---|
| Index of Refraction | 1.541 |
|---|
| InChIKey | LMFKRLGHEKVMNT-UJDVCPFMSA-N |
|---|
| SMILES | COC(C)C(O)(C(=O)OCC1=CCN2CCC(O)C12)C(C)C |
|---|
Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- MH6125000
- CHEMICAL NAME :
- Heliotrine
- CAS REGISTRY NUMBER :
- 303-33-3
- LAST UPDATED :
- 199803
- DATA ITEMS CITED :
- 31
- MOLECULAR FORMULA :
- C16-H27-N-O5
- MOLECULAR WEIGHT :
- 313.44
- WISWESSER LINE NOTATION :
- T55 AN CUTJ D1OVXQY1&1&Y1&O1 FQ
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 50 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 296 mg/kg
- TOXIC EFFECTS :
- Gastrointestinal - hypermotility, diarrhea Gastrointestinal - other changes Kidney, Ureter, Bladder - hematuria
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 274 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 251 mg/kg
- TOXIC EFFECTS :
- Liver - other changes
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 250 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LDLo - Lowest published lethal dose
- ROUTE OF EXPOSURE :
- Unreported
- SPECIES OBSERVED :
- Mammal - species unspecified
- DOSE/DURATION :
- 260 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 900 mg/kg/9D-I
- TOXIC EFFECTS :
- Liver - hepatitis (hepatocellular necrosis), zonal Blood - macrocytosis Biochemical - Enzyme inhibition, induction, or change in blood or tissue levels - transaminases
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 460 mg/kg/6D-I
- TOXIC EFFECTS :
- Tumorigenic - equivocal tumorigenic agent by RTECS criteria Gastrointestinal - tumors
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 50 mg/kg
- SEX/DURATION :
- female 10 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Fertility - post-implantation mortality (e.g. dead and/or resorbed implants per total number of implants)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 100 mg/kg
- SEX/DURATION :
- female 9 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Effects on Embryo or Fetus - fetotoxicity (except death, e.g., stunted fetus) Reproductive - Specific Developmental Abnormalities - musculoskeletal system
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 150 mg/kg
- SEX/DURATION :
- female 16 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - blood and lymphatic systems (including spleen and marrow)
- TYPE OF TEST :
- TDLo - Lowest published toxic dose
- ROUTE OF EXPOSURE :
- Intraperitoneal
- DOSE :
- 200 mg/kg
- SEX/DURATION :
- female 12 day(s) after conception
- TOXIC EFFECTS :
- Reproductive - Specific Developmental Abnormalities - homeostasis Reproductive - Specific Developmental Abnormalities - craniofacial (including nose and tongue) Reproductive - Specific Developmental Abnormalities - Central Nervous System
- TYPE OF TEST :
- Cytogenetic analysis
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Sex chromosome loss and nondisjunction
- TYPE OF TEST :
- Dominant lethal test
- TYPE OF TEST :
- Mutation test systems - not otherwise specified
- TYPE OF TEST :
- Micronucleus test
MUTATION DATA - TYPE OF TEST :
- Cytogenetic analysis
- TEST SYSTEM :
- Mammal - species unspecified Leukocyte
- DOSE/DURATION :
- 50 umol/L
- REFERENCE :
- AJBSAM Australian Journal of Biological Sciences. (Commonwealth Scientific and Industrial Research Organization, 314 Albert St., E. Melbourne, Vic. 3002, Australia) V.6- 1953- Volume(issue)/page/year: 21,469,1968 *** REVIEWS *** TOXICOLOGY REVIEW 32XPAD "Teratology," Berry, C.L., and D.E. Poswillo, eds., New York, Springer, 1975 Volume(issue)/page/year: -,49,1975
|
Safety Information
| Safety Phrases | 22-36/37/39-45 |
|---|
| RIDADR | UN 1544 |
|---|
| Packaging Group | III |
|---|
| Hazard Class | 6.1(b) |
|---|
Synonyms
| (2S,3R)-2-Hydroxy-2-isopropyl-3-methoxy-buttersaeure-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethylester) |
| (2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl |
| (2S,3R)-2-hydroxy-2-isopropyl-3-methoxy-butyric acid-((7aR)-7c-hydroxy-(7ar)-5,6,7,7a-tetrahydro-3H-pyrrolizin-1-ylmethyl ester) |
| 7S-Heliotrine |
| [(1S,7aR)-1-Hydroxy-2,3,5,7a-tetrahydro-1H-pyrrolizin-7-yl]methyl (2S,3R)-2-hydroxy-2-isopropyl-3-methoxybutanoate |
| Butanoic acid, 2-hydroxy-3-methoxy-2-(1-methylethyl)-, [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester, (2S,3R)- |
| Heliotrine |
| (2S)-2-Hydroxy-2-[(R)-1-methoxyethyl]-3-methylbutyric acid [(1S,7aR)-2,3,5,7a-tetrahydro-1-hydroxy-1H-pyrrolizin-7-yl]methyl ester |
| Heliotrin |
| 9-Heliotrylheliotridine |
