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Cas Database |
| Name |
Dehydroheliotrine |
EINECS | N/A |
| CAS No. | 23107-11-1 | Density | 1.24g/cm3 |
| PSA | 80.92000 | LogP | 1.39040 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C16H25 N O5 | Boiling Point | 491.6°Cat760mmHg |
| Molecular Weight | 311.378 | Flash Point | 251.1°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx. | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Heliotrine,3,8-didehydro- (8CI); 3,8-Didehydroheliotrine; Dehydroheliotrine |
Article Data | 3 |
Dehydroheliotrine Chemical Properties
Product Name: Dehydroheliotrine (CAS NO.23107-11-1)
Molecular Formula: C16H25NO5
Molecular Weight: 311.42g/mol
Mol File: 23107-11-1.mol
Boiling point: 491.6 °C at 760 mmHg
Flash Point: 251.1 °C
Density: 1.24 g/cm3
Surface Tension: 41.6 dyne/cm
Enthalpy of Vaporization: 79.87 kJ/mol
Vapour Pressure: 1.77E-10 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Dehydroheliotrine (CAS NO.23107-11-1):
IUPAC Name: [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
Canonical SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=C2C(CCN2C=C1)O)O
Isomeric SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=C2[C@H](CCN2C=C1)O)O
InChI: InChI=1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1
InChIKey: KYSOVPPHGLNVRV-ULKWEWGCSA-N
Dehydroheliotrine Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| rat | LDLo | intraperitoneal | 62mg/kg (62mg/kg) | LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: OTHER CHANGES | Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976. |
Dehydroheliotrine Safety Profile
Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
Dehydroheliotrine Specification
Dehydroheliotrine ,its CAS NO. is 23107-11-1,the synonyms is 3,8-Didehydroheliotrine ; Heliotrine, 3,8-didehydro- ; Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3-dihydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(R*(S*))))- .
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