chempirical

Trichostatin A

C17H22N2O3CAS 58880-19-6302.37 g/mol

Open in Covalent MOL file
OHNOHON
AlkeneKetoneOximeTertiary amine

Properties

Molecular formula
C17H22N2O3
Molar mass
302.37 g/mol
Exact mass
302.1630 Da
Melting point
140–143 °C
logP
3.42Crippen estimate
Polar surface area
73.1 Ų
H-bond donors / acceptors
2 / 4
Rotatable bonds
6
Stereocentres
Rin SMILES atom order
Double bonds
EE/Z, in SMILES order

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
58880-19-6
SMILES
CC(/C=C/C(O)=NO)=C[C@@H](C)C(=O)c1ccc(N(C)C)cc1
InChIKey
RTKIYFITIVXBLE-QEQCGCAPSA-N
InChI
InChI=1S/C17H22N2O3/c1-12(5-10-16(20)18-22)11-13(2)17(21)14-6-8-15(9-7-14)19(3)4/h5-11,13,22H,1-4H3,(H,18,20)/b10-5+,12-11+/t13-/m1/s1

Weigh it out

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

Names and synonyms

6 names
  • 2,4-Heptadienamide, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, (2E,4E,6R)-
  • 2,4-Heptadienamide, 7-[4-(dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-, [R-(E,E)]-
  • (2E,4E,6R)-7-[4-(Dimethylamino)phenyl]-N-hydroxy-4,6-dimethyl-7-oxo-2,4-heptadienamide
  • (R)-Trichostatin A
  • TSA
  • (R)-(+)-Trichostatin A

Work with Trichostatin A

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

Inulinase9025-67-657 % similar 4-(Dimethylamino)benzoic acid619-84-138 % similar 4-Dimethylaminoacetophenone2124-31-436 % similar 4-(Dimethylamino)benzoyl chloride4755-50-436 % similar 4,4'-Bis(dimethylamino)benzophenone90-94-835 % similar 4-(Dimethylamino)cinnamic acid1552-96-135 % similar 3-(2-(4-(Dimethylamino)phenyl)diazenyl)benzoic acid20691-84-333 % similar p-Dimethylaminobenzophenone530-44-932 % similar

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

Elsewhere

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