(2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol

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

Structure Search

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

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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

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SUBSTANCE RECORD


					YV4YK89UZP

(2S,3R,4S,5S)-2-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-6,6-bis(hydroxymethyl)-2-methoxytetrahydro-2H-pyran-3,4,5-triol