AG00HT5F

134071-44-6 | ((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate

AG00HT5F

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CAS Number	134071-44-6
Catalog Number	AG00HT5F(AGN-PC-0PK61R)
Chemical Name	((2R,4R)-Rel-2-((1h-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate
EC Number	603-791-6
IUPAC Name	[(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate
InChI	InChI=1S/C21H20Cl2N2O5S/c1-15-2-5-18(6-3-15)31(26,27)29-12-17-11-28-21(30-17,13-25-9-8-24-14-25)19-7-4-16(22)10-20(19)23/h2-10,14,17H,11-13H2,1H3/t17-,21+/m1/s1
InChI Key	WAXNIYHZFWRPGS-UTKZUKDTSA-N
MDL Number	MFCD07367827
Molecular Formula	C21H20Cl2N2O5S
Molecular Weight	483.3649
SMILES	O=S(C1=CC=C(C)C=C1)(OC[C@@H]2O[C@](C3=CC=C(Cl)C=C3Cl)(CN4C=CN=C4)OC2)=O
Synonyms	134071-44-6, (cis-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, Ketoconazole impurity E [EP], AK115485, EC 603-791-6, CHEMBL202076, KS-00000JL8, DT1159, ZINC21988957, AKOS016010041, ACN-050918, DS-4112, (+/-)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-(4-methylbenzenesulfonate), (2R,4R)-rel-, 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), (2R,4R)-rel-, 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester), cis-, 2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, AJ-79606, AX8018096, UNII-644X337Z6T component WAXNIYHZFWRPGS-UTKZUKDTSA-N, ((2R,4R)-2-((1H-imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, [(2R,4R)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate, [(2RS,4SR)-2-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-Methylbenzenesulfonate, 1,3-Dioxolane-4-methanol,2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-,4-methylbenzenesulfonate (ester), (2R,4R)-rel-, 2beta-(1H-Imidazole-1-ylmethyl)-2-(2,4-dichlorophenyl)-1,3-dioxolane-4beta-methanol p-toluenesulfonate, UNII-644X337Z6T, 644X337Z6T, CID10814675, CID 10814675, ((2R,4R)-rel-2-((1H-Imidazol-1-yl)methyl)-2-(2,4-dichlorophenyl)-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate, (2R,4R) cis-(2,4-Dichlorophenyl)-2-(1,2,4-triazole-1-yl-methyl)-1,3-dioxolane-4yl-methyl-p-tolysulfonate, 1,3-Dioxolane-4-methanol, 2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-, 4-methylbenzenesulfonate (ester),(2R,4R)-rel-, cis-(2-(2,4-dichlorophenyl)-2-(1h-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl-4-methylbenzenesulphonate,

Complexity	700
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	2
Defined Bond Stereocenter Count	0
Exact Mass	482.047g/mol
Formal Charge	0
Heavy Atom Count	31
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	483.36g/mol
Monoisotopic Mass	482.047g/mol
Rotatable Bond Count	7
Topological Polar Surface Area	88A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	4.6

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number