AG01CCFM

842133-18-0 | D-Glucitol,1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-

AG01CCFM

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CAS Number	842133-18-0
Catalog Number	AG01CCFM(AGN-PC-0UQWBN)
Chemical Name	D-Glucitol,1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-
IUPAC Name	(2S,3R,4R,5S,6R)-2-[3-[[5-(4-fluorophenyl)thiophen-2-yl]methyl]-4-methylphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
InChI	InChI=1S/C24H25FO5S/c1-13-2-3-15(24-23(29)22(28)21(27)19(12-26)30-24)10-16(13)11-18-8-9-20(31-18)14-4-6-17(25)7-5-14/h2-10,19,21-24,26-29H,11-12H2,1H3/t19-,21-,22+,23-,24+/m1/s1
InChI Key	XTNGUQKDFGDXSJ-ZXGKGEBGSA-N
MDL Number	MFCD18251436
Molecular Formula	C24H25FO5S
Molecular Weight	444.5157
SMILES	O[C@H]1[C@@H](O[C@@H]([C@H]([C@@H]1O)O)CO)c1cc(Cc2sc(cc2)c2ccc(cc2)F)c(cc1)C
UNII	6S49DGR869
Synonyms	1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene - T777973, canagliflozin, Canagliflozin Hemihydrate, Canagliflozin, Anhydrous, Invokana, Canagliflozin, 842133-18-0, Invokana, Canagliflozin anhydrous, canagliflozin hemihydrate, UNII-6S49DGR869, JNJ-28431754, JNJ 24831754ZAE, Canagliflozin hydrate, TA-7284, TA 7284, 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene, CHEBI:73274, 6S49DGR869, (2S,3R,4R,5S,6R)-2-(3-((5-(4-FLUOROPHENYL)THIOPHEN-2-YL)METHYL)-4-METHYLPHENYL)-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-3,4,5-TRIOL, (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methylphenyl)-D-glucitol, JNJ 28431754, 928672-86-0, (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol, (1s)-1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-d-glucitol, (1S)-1,5-Anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-D-glucitol, Canagliflozin/, JNJ 24831754AAA, Canagliflozin [INN], Tube102, JNJ 24831754, MLS006011126, SCHEMBL157162, C24H25FO5S, GLU008, GTPL4582, CHEMBL2048484, HSDB 8284, XTNGUQKDFGDXSJ-ZXGKGEBGSA-N, BCPP000303, ABP000358, BDBM50386885, CC0249, MFCD18251436, s2760, ZINC43207238, AKOS025401827, ACN-034470, API0013707, BCP9000477, CCG-229581, CS-0522, DB08907, KS-1443, PB22925, RL05180, (1S)-1,5-Anhydro-1-c-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol, AC-26303, BC638828, HY-10451, SMR004702906, AJ-108287, FT-0664217, SW219119-1, Y0287, A11100, Q-4516, J-500391, (1S)-1,5-anhydro-1-(3-{[5-(4-fluorophenyl)-2-thienyl]methyl}-4-methyl-phenyl)-D-glucitol, (2S,3R,4R,5S,6R)-2-(3-{[5-(4-fluorophenyl)thiophen-2-yl]methyl}-4-methylphenyl)-6-(hydroxymethyl)oxane-3,4,5-triol, D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1S)-, D-glucitol, 1,5-anhydro-1-c-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4- methylphenyl)-, (1s)-, D-Glucitol, 1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-, D-Glucitol,1,5-anhydro-1-C-[3-[[5-(4-fluorophenyl)-2-thienyl]methyl]-4-methylphenyl]-, (1S)-, Canagliflozin/metformin, Canagliflozin [USAN], Canagliflozin ? Isomer, Canagliflozin, Anhydrous, D08DFX, D0S8XP, Canagliflozin [USAN:INN], cc-209, UNII-0SAC974Z85, JNJ-24831754-ZAE, JNJ-28431754-AAA, CS-O-10757, CS-O-10825, A8333, C24-H25-F-O5-S.1/2H2-O, C552334, D000068896, 1-(beta-D-glucopyranosyl)-4-methyl-3-[5-(4-fluorophenyl)-2-thienylmethyl]benzene, 1-(Glucopyranosyl)-4-methyl-3-(5-(4-fluorophenyl)-2-thienylmethyl)benzene - T777973, (1S)-1,5-Anhydro-1-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-D-glucitol hemihydrate, (1S)-1,5-Anhydro-1-C-(3-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4-methylphenyl)-D-glucitol hemihydrate, D-Glucitol, 1,5-anhydro-1-C-(3-((5-(4-fluorophenyl)-2-thienyl)methyl)-4-methylphenyl)-, hydrate (2:1), (1S)-,

Complexity	574
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	5
Defined Bond Stereocenter Count	0
Exact Mass	444.141g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	444.517g/mol
Monoisotopic Mass	444.141g/mol
Rotatable Bond Count	5
Topological Polar Surface Area	118A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	3.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	6.1(8)
Hazard statements	H318-H361
Packing Group	Ⅱ
Precautionary statements	P201-P202-P280-P281-P305+P351+P338-P308+P313-P310-P405-P501
UN Code	UN 2928

Certificate of Analysis

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