Sotagliflozin

Catalog Number	ACM1018899041
CAS	1018899-04-1
Structure
IUPAC Name	(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
Synonyms	Sotagliflozin;1018899-04-1;LX-4211;LX4211;UNII-6B4ZBS263Y;LP-802034;6B4ZBS263Y;(2s,3r,4r,5s,6r)-2-(4-chloro-3-(4-ethoxybenzyl)phenyl)-6-(methylthio)tetrahydro-2h-pyran-3,4,5-triol;MFCD22493506;(2S,3R,4R,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol;beta-l-Xylopyranoside, methyl 5-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-1-thio-, (5S)-;beta-L-Xylopyranoside, methyl 5-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-thio-, (5S)-;Sotagliflozin (LX4211);Sotagliflozin [USAN:INN];Zynquista;LX 4211;Tube103;LP 802034;Sotagliflozin (USAN/INN);C21H25ClO5S;Sotagliflozin (LX-4211);GTPL8312;SCHEMBL1038287;CHEMBL3039507;DTXSID20144314;AMY12393;EX-A1167;3792AH;BDBM50235017;s8103;ZINC95641922;AKOS025290846;ACN-037454;CCG-268940;CM11080;CS-1069;DB12713;SB10646;AC-29890;AS-35202;HY-15516;AB0165653;D10669;W-5944;Q27088840;(2S,3R,4R,5S,6R)-2-[4-Chloro-3-(4-ethoxybenzyl)phenyl]-6-(methylsulfanyl)tetrahydro-2H-pyran-3,4,5-triol;LX-4211\|\|\|LP-802034\|\|\|(2S,3R,4R,5S,6R)-2-[4-Chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methylsulfanyloxane-3,4,5-triol
Molecular Weight	424.9g/mol
Molecular Formula	C21H25ClO5S
Canonical SMILES	CCOC1=CC=C(C=C1)CC2=C(C=CC(=C2)C3C(C(C(C(O3)SC)O)O)O)Cl
InChI	InChI=1S/C21H25ClO5S/c1-3-26-15-7-4-12(5-8-15)10-14-11-13(6-9-16(14)22)20-18(24)17(23)19(25)21(27-20)28-2/h4-9,11,17-21,23-25H,3,10H2,1-2H3/t17-,18-,19+,20+,21-/m1/s1
InChI Key	QKDRXGFQVGOQKS-CRSSMBPESA-N
Complexity	476
Covalently-Bonded Unit Count	1
Exact Mass	424.1111228g/mol
Heavy Atom Count	28
Hydrogen Bond Acceptor Count	6
Monoisotopic Mass	424.1111228g/mol
Rotatable Bond Count	6
Topological Polar Surface Area	104Å²
UNII	6B4ZBS263Y
X Log P3	3.2

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