chempirical

Dioxopromethazine

C17H20N2O2SCAS 13754-56-8316.42 g/mol

Open in Covalent MOL file
NSOON
SulfoneTertiary amine

Properties

Molecular formula
C17H20N2O2S
Molar mass
316.42 g/mol
Exact mass
316.1245 Da
Melting point
127–129 °C
logP
2.92Crippen estimate
Polar surface area
40.6 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
3

Identifiers

CAS number
13754-56-8
SMILES
CC(CN1c2ccccc2S(=O)(=O)c2ccccc21)N(C)C
InChIKey
FDXKCOBAFGSMDJ-UHFFFAOYSA-N
InChI
InChI=1S/C17H20N2O2S/c1-13(18(2)3)12-19-14-8-4-6-10-16(14)22(20,21)17-11-7-5-9-15(17)19/h4-11,13H,12H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 10H-Phenothiazine-10-ethanamine, N,N,α-trimethyl-, 5,5-dioxide
  • Phenothiazine, 10-[2-(dimethylamino)propyl]-, 5,5-dioxide
  • Promethazine 5,5-dioxide
  • Prothanon
  • 9,9-Dioxopromethazine
  • 9,9-Dioxypromethazin
  • 1-(5,5-Dioxophenothiazin-10-yl)-N,N-dimethylpropan-2-amine

Work with Dioxopromethazine

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

(±)-Promethazine60-87-757 % similar Promethazine hydrochloride58-33-353 % similar Dibenzothiophene sulfone1016-05-335 % similar (±)-Trimeprazine84-96-833 % similar Bensultap17606-31-431 % similar 1-Amino-2-methylindoline31529-46-131 % similar Methadone hydrochloride1095-90-531 % similar Aminopentamide60-46-831 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

5-[3,4-Dihydro-1(2H)-quinolinyl]-2-(ethylsulfonyl)aniline1220033-79-3 5-(3,4-Dihydro-2(1H)-isoquinolinyl)-2-(ethylsulfonyl)benzenamine1220039-24-6

Elsewhere

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