chempirical

Tamibarotene

C22H25NO3CAS 94497-51-5351.45 g/mol

Open in Covalent MOL file
NHOOHO
AmideCarboxylic acid

Properties

Molecular formula
C22H25NO3
Molar mass
351.45 g/mol
Exact mass
351.1834 Da
Melting point
231–232 °C
logP
4.99Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3

Identifiers

CAS number
94497-51-5
SMILES
CC1(C)CCC(C)(C)c2cc(NC(=O)c3ccc(C(=O)O)cc3)ccc21
InChIKey
MUTNCGKQJGXKEM-UHFFFAOYSA-N
InChI
InChI=1S/C22H25NO3/c1-21(2)11-12-22(3,4)18-13-16(9-10-17(18)21)23-19(24)14-5-7-15(8-6-14)20(25)26/h5-10,13H,11-12H2,1-4H3,(H,23,24)(H,25,26)

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Names and synonyms

15 names · show all
  • Benzoic acid, 4-[[(5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]-
  • 4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)amino]carbonyl]benzoic acid
  • Am 80
  • Am 80 (pharmaceutical)
  • NSC 608000
  • Retinoid AM 80
  • Amnolake
  • 4-[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbamoyl]benzoic acid
  • RR 110
  • SY 1425
  • Am 80 (RAR agonist)
  • INNO 507
  • TM 441
  • TOS 80T
  • OP 01

Work with Tamibarotene

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

Ttnpb71441-28-656 % similar Bexarotene153559-49-050 % similar 4-(Methylamino)benzoic acid10541-83-042 % similar Palovarotene410528-02-840 % similar 4-Hydrazinobenzoic acid619-67-040 % similar Para-tert-butylbenzoic acid98-73-739 % similar 4-[(Aminothioxomethyl)amino]benzoic acid7366-56-538 % similar 4-(1,1-Dimethylethyl)-3-methoxybenzoic acid79822-46-138 % similar

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

Same formula

4-[[(5,6,7,8-Tetrahydro-5,5,8,8-tetramethyl-2-naphthalenyl)carbonyl]amino]benzoic acid102121-60-8

Elsewhere

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