-
Name
Card-20(22)-enolide,14-hydroxy-2,3-[[(5S,6R,7S,9R)-6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl]bis(oxy)]-19-oxo-,(2a,3b,5a)-
- EINECS
- CAS No. 24211-81-2
- Density 1.62g/cm3
- Solubility
- Melting Point
- Formula C31H41 N O8 S
- Boiling Point 802.4°Cat760mmHg
- Molecular Weight 587.734
- Flash Point 439°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
- Risk Codes
-
Molecular Structure
- Hazard Symbols
- Synonyms Card-20(22)-enolide,14-hydroxy-2,3-[(6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro[4.5]dec-3-ene-6,7-diyl)bis(oxy)]-19-oxo-,[2a(5S,6R,7S,9R),3b,5a]-; Uscharin (8CI); Uscharine (6CI)
- PSA
- LogP
Uscharin Chemical Properties
Product Name: Uscharin
CAS Registry Number: 24211-81-2
Synonyms: 14-Hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxocard-20(22)-enolide (2alpha(5S,6R,7S,9R),3beta,5alpha)- ; Uscharine (6CI)
Systematic Name: Card-20(22)-enolide, 14-hydroxy-2,3-((6-hydroxy-9-methyl-8-oxa-1-thia-4-azaspiro(4.5)dec-3-ene-6,7-diyl)bis(oxy))-19-oxo-, (2alpha(5S,6R,7S,9R),3beta,5alpha)- ; Uscharin
Molecular Weight: 587.72414 [g/mol]
Molecular Formula: C31H41NO8S
XLogP3-AA: 1.4
H-Bond Donor: 2
H-Bond Acceptor: 9
Surface Tension: 68.3 dyne/cm
Density: 1.62 g/cm3
Flash Point: 439 °C
Enthalpy of Vaporization: 132.87 kJ/mol
Boiling Point: 802.4 °C at 760 mmHg
Vapour Pressure: 8.8E-30 mmHg at 25°C
Following is the molecular structure of Uscharin (CAS NO.24211-81-2) is:
Uscharin Toxicity Data With Reference
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| cat | LD50 | intravenous | 144ug/kg (0.144mg/kg) | Journal of Pharmacology and Experimental Therapeutics. Vol. 74, Pg. 223, 1942. |
Uscharin Safety Profile
A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx and SOx.
Uscharin Specification
Descriptors computed from structure, you can know some information about Uscharin (CAS NO.24211-81-2) :
Canonical SMILES: CC1CC2(C3(C(O1)OC4CC5CCC6C(C5(CC4O3)C=O)CCC7(C6(CCC7C8=CC(=O)OC8)O)C)O)
N=CCS2
Isomeric SMILES: C[C@@H]1CC2([C@]3([C@@H](O1)O[C@H]4C[C@@H]5CC[C@@H]6[C@@H]([C@]5(C[C@@H]
4O3)C=O)CC[C@]7(C6(CC[C@@H]7C8=CC(=O)OC8)O)C)O)N=CCS2
InChI: InChI=1S/C31H41NO8S/c1-17-13-30(32-9-10-41-30)31(36)26(38-17)39-23-12-
19-3-4-22-21(28(19,16-33)14-24(23)40-31)5-7-27(2)20(6-8-29(22,
27)35)18-11-25(34)37-15-18/h9,11,16-17,19-24,26,35-36H,3-8,10,12-15H2,
1-2H3/t17-,19+,20-,21+,22-,23+,24+,26+,27-,28-,29?,30?,31-/m1/s1
InChIKey: DONIPVCAKBPJLH-ZBINQGMKSA-N
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