-
Name
CAPNOIDINE
- EINECS
- CAS No. 485-50-7
- Article Data2
- CAS DataBase
- Density 1.473g/cm3
- Solubility
- Melting Point 238°
- Formula C20H17 N O6
- Boiling Point 542.3°C at 760 mmHg
- Molecular Weight 367.358
- Flash Point 281.8°C
- Transport Information
- Appearance
- Safety A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
- Risk Codes
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Molecular Structure
- Hazard Symbols A poison.
- Synonyms Capnoidine(7CI,8CI); Furo[3,4-e]-1,3-benzodioxol-8(6H)-one,6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo[4,5-g]isoquinolin-5-yl)-,[R-(R*,R*)]-; 1,3-Dioxolo[4,5-g]isoquinoline,furo[3,4-e]-1,3-benzodioxol-8(6H)-one deriv.;(-)-2-Methyl-6,7-methylenedioxy-1(R)-[6,7-methylenedioxy-3(R)-phthalidyl]-1,2,3,4-tetrahydroisoquinoline;(-)-Adlumidine; (-)-Capnoidine; l-Adlumidine; l-Capnoidine
- PSA 66.46000
- LogP 2.52260
l-Capnoidine Chemical Properties
Molecular Structure of l-Capnoidine (CAS NO. 485-50-7):
IUPAC Name: (6R)-6-[(5R)-6-Methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one
Molecular Formula: C20H17NO6
Molecular Weight: 367.352080 g/mol
XLogP3-AA: 2.6
H-Bond Donor: 0
H-Bond Acceptor: 7
Canonical SMILES: CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
Isomeric SMILES: CN1CCC2=CC3=C(C=C2[C@@H]1[C@H]4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3
InChI: InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3/t17-,18-/m1/s1
InChIKey: IYGYMKDQCDOMRE-QZTJIDSGSA-N
Index of Refraction: 1.665
Molar Refractivity: 92.61 cm3
Molar Volume: 249.3 cm3
Surface Tension: 61.5 dyne/cm
Density: 1.473 g/cm3
Flash Point: 281.8 °C
Enthalpy of Vaporization: 82.04 kJ/mol
Boiling Point: 542.3 °C at 760 mmHg
Vapour Pressure: 7.98E-12 mmHg at 25 °C
Water Solubility: 2.652e+005 mg/L at 25 °C
l-Capnoidine Toxicity Data With Reference
| 1. | ivn-mus LD50:29 mg/kg | FEPRA7 Federation Proceedings, Federation of American Societies for Experimental Biology. 5 (1946),163. |
l-Capnoidine Safety Profile
Safety Information of l-Capnoidine (CAS NO. 485-50-7):
RIDADR: 1544
HazardClass: 6.1(b)
PackingGroup: III
A poison by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
l-Capnoidine Specification
l-Capnoidine with cas registry number of 485-50-7 is also called for Capnoidine ; l-Adlumidine ; (-)-Adlumidine ; Furo(3,4-e)-1,3-benzodioxol-8(6H)-one, 6-(5,6,7,8-tetrahydro-6-methyl-1,3-dioxolo(4,5-g)isoquinolin-5-yl)-, (R-(R*,R*))- .
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