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173156-98-4 | 3-Pyridinecarboxylic acid, 6-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio]-
CAS No: 173156-98-4 Catalog No: AG001YNO MDL No:
Product Description
Catalog Number:
AG001YNO
Chemical Name:
3-Pyridinecarboxylic acid, 6-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)thio]-
CAS Number:
173156-98-4
Molecular Formula:
C21H25NO2S
Molecular Weight:
355.4937
IUPAC Name:
6-[(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)sulfanyl]pyridine-3-carboxylic acid
InChI:
InChI=1S/C21H25NO2S/c1-13-10-15-16(21(4,5)9-8-20(15,2)3)11-17(13)25-18-7-6-14(12-22-18)19(23)24/h6-7,10-12H,8-9H2,1-5H3,(H,23,24)
InChI Key:
PMHYUNDXKUCCIA-UHFFFAOYSA-N
SMILES:
Cc1cc2c(cc1Sc1ccc(cn1)C(=O)O)C(C)(C)CCC2(C)C
Properties
Complexity:
504
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.161g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.496g/mol
Monoisotopic Mass:
355.161g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
Literature
| Title | Journal |
|---|---|
| Retinoid X receptor agonist elevation of serum triglycerides in rats by potentiation of retinoic acid receptor agonist induction or by action as single agents. | Biochemical pharmacology 20011201 |
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