chempirical

Tazarotene

C21H21NO2SCAS 118292-40-3351.46 g/mol

Open in Covalent MOL file
OOSN
AlkyneEsterSulfide

Properties

Molecular formula
C21H21NO2S
Molar mass
351.46 g/mol
Exact mass
351.1293 Da
Melting point
97–98 °C
logP
4.43Crippen estimate
Polar surface area
39.2 Ų
H-bond donors / acceptors
0 / 4
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
118292-40-3
SMILES
CCOC(=O)c1ccc(C#Cc2ccc3c(c2)C(C)(C)CCS3)nc1
InChIKey
OGQICQVSFDPSEI-UHFFFAOYSA-N
InChI
InChI=1S/C21H21NO2S/c1-4-24-20(23)16-7-9-17(22-14-16)8-5-15-6-10-19-18(13-15)21(2,3)11-12-25-19/h6-7,9-10,13-14H,4,11-12H2,1-3H3

Weigh it out

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

Names and synonyms

7 names
  • 3-Pyridinecarboxylic acid, 6-[2-(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-, ethyl ester
  • 3-Pyridinecarboxylic acid, 6-[(3,4-dihydro-4,4-dimethyl-2H-1-benzothiopyran-6-yl)ethynyl]-, ethyl ester
  • 2H-1-Benzothiopyran, 3-pyridinecarboxylic acid deriv.
  • AGN 190168
  • Zorac
  • Tazorac
  • Acnitaz

Work with Tazarotene

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

5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-542 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-342 % similar Ethyl 6-methylnicotinate21684-59-341 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-041 % similar Ethyl 6-aminonicotinate39658-41-840 % similar Ethyl 6-chloronicotinate49608-01-740 % similar Ethyl p-cyanobenzoate7153-22-237 % similar Ethyl 2-(methylthio)pyrimidine-5-carboxylate73781-88-137 % similar

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

Elsewhere

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