Thozalinone

HCID 12602

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Basic information

CAS: 655-05-0
Standard SMILES: CN(C)C1=NC(=O)C(c2ccccc2)O1
InChIKey: JJSHYECKYLDYAR-UHFFFAOYSA-N
Molecular formula: C11H12N2O2
Average molar mass: 204.22 g/mol
Monoisotopic mass: 204.08987763

Names & identifiers

Preferred name: Thozalinone
IUPAC: 2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one
English name: Thozalinone
Molecular formula: C11H12N2O2
Molecular weight: 204.23

Names & synonyms

THOZALINONE655-05-0TozalinoneTozalinonaCL 398082-(Dimethylamino)-5-phenyl-2-oxazolin-4-oneTozalinonumCL-39808NSC-170962DTXSID7086235968X5932947RefChem:189719

Show more names

ThozalinomeThozalinone, 10 mM in DMSO2-(dimethylamino)-5-phenyl-oxazol-4-one2-dimethylamino-5-phenyl-1,3-oxazol-4-one2-(diMethylaMino)-5-phenyloxazolidin-4-one

DTXCID00811138Stimsen2-(Dimethylamino)-5-phenyloxazol-4(5H)-one4(5H)-Oxazolone, 2-(dimethylamino)-5-phenyl-Thozalinone [USAN]2-(dimethylamino)-5-phenyl-1,3-oxazol-4-one2-Oxazolin-4-one, 2-(dimethylamino)-5-phenyl-Tozalinone [INN]

Database identifiers

CAS: 655-05-0
PubChem CID: 12602
DTXSID: DTXSID70862359
ChEMBL: CHEMBL2105457
UNII: 68X5932947
Nikkaji: J7.079C

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 41.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 15
Formal charge: 0
Complexity: 280

Physicochemical properties

Melting point: 133 · 133-136°
Boiling point: 294.8 · 294.8±43.0 °C(Predicted)
Density: 1.19 · 1.19±0.1 g/cm3(Predicted)
pka: 0.5 · 0.50±0.40(Predicted)
form: Solid
color: White to off-white
InChI: InChI=1S/C11H12N2O2/c1-13(2)11-12-10(14)9(15-11)8-6-4-3-5-7-8/h3-7,9H,1-2H3
InChIKey: JJSHYECKYLDYAR-UHFFFAOYSA-N
SMILES: O1C(C2=CC=CC=C2)C(=O)N=C1N(C)C
FDA UNII: 68 X5932947 · 68X5932947
NIST Chemistry Reference: Thozalinone(655-05-0)

Chemistry & industry

Applications · 1 item

UsesThozalinone-d5 is labelled Thozalinone (T398002) which is a psychostimulant that has been used as an antidepressant. Thozalinone likely acts via inducing the release of norepinephrine and dopamine as with its analogues pemoline and aminorex.

Suppliers33 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

杭州品高化工有限公司0571-87658025 · [email protected]

陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]

广东元丰化学试剂有限公司0751-2829979 13318593351 · [email protected]

北京博奥森生物技术有限公司400-901-9800 18611424007 · [email protected]

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