Molecule structure of Morpholino-thalidomide (CAS NO.10329-95-0):
IUPAC Name: 2-[1-(Morpholin-4-ylmethyl)-2,6-dioxopiperidin-3-yl]isoindole-1,3-dione
Molecular Weight: 357.36056 g/mol
Molecular Formula: C18H19N3O5
Density: 1.435 g/cm3
Boiling Point: 584.9 °C at 760 mmHg
Flash Point: 307.6 °C
Index of Refraction: 1.632
Molar Refractivity: 88.88 cm3
Molar Volume: 248.9 cm3
Polarizability: 35.23×10-24 cm3
Surface Tension: 67 dyne/cm
Enthalpy of Vaporization: 87.39 kJ/mol
Vapour Pressure: 1.15E-13 mmHg at 25 °C
XLogP3-AA: 0.1
H-Bond Acceptor: 6
Rotatable Bond Count: 3
Tautomer Count: 4
Exact Mass: 357.132471
MonoIsotopic Mass: 357.132471
Topological Polar Surface Area: 87.2
Heavy Atom Count: 26
Complexity: 606
Canonical SMILES: C1CC(=O)N(C(=O)C1N2C(=O)C3=CC=CC=C3C2=O)CN4CCOCC4
InChI: InChI=1S/C18H19N3O5/c22-15-6-5-14(18(25)20(15)11-19-7-9-26-10-8-19)21-16(23)12-3-1-2-4-13(12)17(21)24/h1-4,14H,5-11H2
InChIKey of Morpholino-thalidomide (CAS NO.10329-95-0): IMFASZSXAQHCHV-UHFFFAOYSA-N
1. | ipr-rat LD50:1300 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 194 (1971),39. | ||
2. | orl-mus LD50:3000 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 194 (1971),39. | ||
3. | ipr-mus LD50:840 mg/kg | AIPTAK Archives Internationales de Pharmacodynamie et de Therapie. 194 (1971),39. |
Moderately toxic by ingestion and intraperitoneal routes. When heated to decomposition it emits toxic fumes of NOx.
Morpholino-thalidomide (CAS NO.10329-95-0) is also named as 1-Methyl-morpholino-3-phthalimido-glutarimide ; 1-Morpholinomethylthalidomide ; BRN 1230262 ; CG 601 ; E-298 ; N-(1-(Morpholinomethyl)-2,6-dioxo-3-piperidyl)phthalimide ; 1H-Isoindole-1,3(2H)-dione, 2-(1-(4-morpholinylmethyl)-2,6-dioxo-3-piperidinyl)- (9CI) ; Phthalimide, N-(1-(morpholinomethyl)-2,6-dioxo-3-piperidyl)- .
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