AG001T7Z

162520-00-5 | Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-

AG001T7Z

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CAS Number	162520-00-5
Catalog Number	AG001T7Z(AGN-PC-0O4NAI)
Chemical Name	Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-
IUPAC Name	2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid
InChI	InChI=1S/C22H30O2S/c1-17(2)9-7-10-18(3)11-8-12-19(4)15-16-25-21-14-6-5-13-20(21)22(23)24/h5-6,9,11,13-15H,7-8,10,12,16H2,1-4H3,(H,23,24)/b18-11+,19-15+
InChI Key	WUILNKCFCLNXOK-CFBAGHHKSA-N
MDL Number	MFCD00467723
Molecular Formula	C22H30O2S
Molecular Weight	358.5374
NSC Number	685986
SMILES	O=C(O)C1=CC=CC=C1SC/C=C(C)/CC/C=C(C)/CC/C=C(C)/C
UNII	MZH0OM550M
Synonyms	farnesylthiosalicylic acid, S-farnesylthiosalicylic acid, S-trans,trans-farnesylthiosalicylic acid, salirasib, Salirasib, 162520-00-5, Farnesylthiosalicylic acid, S-Farnesylthiosalicylic acid, UNII-MZH0OM550M, FTS, MZH0OM550M, CHEMBL23293, Farnesyl Thiosalicylic Acid, 2-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]sulfanylbenzoic acid, 2-[[(2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrien-1-yl]thio]benzoic Acid, 2-((2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienylthio)benzoic acid, 2-(((2E,6E)-3,7,11-Trimethyl-2,6,10-dodecatrienyl)sulfanyl)benzoic acid, Benzoic acid, 2-(((2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrienyl)thio)-, Salirasib [USAN], Salirasib [USAN:INN], Farnesylthiosalicyclic acid, AK186909, Farnesylthiosalicylate, trans,trans Farnesyl Thiosalicylic Acid, S-trans,trans-farnesylthiosalicylic acid, Salirasib (INN/USAN), Lopac-F-8175, AC1NV5Y3, Lopac0_000517, MLS006010835, GTPL6281, Salirasib, >=98% (HPLC), WUILNKCFCLNXOK-CFBAGHHKSA-N, BCP27978, EX-A1170, ONO-7056, trans,trans-Farnesylthiobenzoic acid, ZINC1650377, 2030AH, BDBM50034278, KD-032, MFCD00467723, NSC685986, s7684, AKOS024458453, CCG-204607, CS-0681, DB12681, NSC-685986, NCGC00015448-01, NCGC00015448-02, NCGC00015448-03, NCGC00093912-01, NCGC00093912-02, BC600693, HY-14754, SMR004701762, LS-186975, LS-187617, EU-0100517, D08995, F 8175, W-5109, Farnesylthiosalicylic acid, >98% (HPLC), solid, SR-01000075885, J-009946, SR-01000075885-1, 2-[(3,7,11-Trimethyl-2,6,10-dodecatrienyl)thio]benzoic acid, (E,E)-2-[(3,7,11-Trimethyl-2,6,10-dodecatrienyl)thio]benzoic Acid, 2-((2E,6E)-3,7,11-Trimethyl-dodeca-2,6,10-trienylsulfanyl)-benzoic acid, Benzoic acid, 2-[[(2E,6E)-3,7,11-trimethyl-2,6,10-dodecatrien-1-yl]thio]-, 166445-40-5, S-trans, FTS, Thyreos, Ras antagonists, Thyreos, D00KTV, D05YQY, Trans-farnesylthiosalicylicacid, FTS (oral, cancer), Concordia, C22H30O2S, Th-101, KD032, Ras-inhibitors (cancer), Concordia, FTS (oral, cancer), Concordia/Ono, C22-H30-O2-S, CID5469318, A3787, C093323, Farnesylthiosalicyclic acid (oral, cancer), Concordia,

Complexity	498
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	2
Exact Mass	358.197g/mol
Formal Charge	0
Heavy Atom Count	25
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	358.54g/mol
Monoisotopic Mass	358.197g/mol
Rotatable Bond Count	10
Topological Polar Surface Area	62.6A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	7.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number