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Details

Stereochemistry ABSOLUTE
Molecular Formula C23H29ClO8
Molecular Weight 468.925
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of (2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]3(OC)OC(CO)(CO)[C@@H](O)[C@H](O)[C@H]3O)C=C1

InChI

InChIKey=BLHXRCSRYWCZJZ-QXUYBEEESA-N
InChI=1S/C23H29ClO8/c1-3-31-17-7-4-14(5-8-17)10-15-11-16(6-9-18(15)24)23(30-2)21(29)19(27)20(28)22(12-25,13-26)32-23/h4-9,11,19-21,25-29H,3,10,12-13H2,1-2H3/t19-,20-,21+,23-/m0/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
(2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol
Systematic Name English
α-D-xylo-Hexopyranoside, methyl 1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-5-C-(hydroxymethyl)-
Systematic Name English
Ertugliflozin Related Compound 1
Common Name English
Code System Code Type Description
CAS
1528636-39-6
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
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PUBCHEM
125496417
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
PRIMARY
FDA UNII
YV4YK89UZP
Created by admin on Sat Dec 16 18:06:12 GMT 2023 , Edited by admin on Sat Dec 16 18:06:12 GMT 2023
PRIMARY