U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C34H41ClO11
Molecular Weight 661.136
Optical Activity UNSPECIFIED
Defined Stereocenters 5 / 5
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ertugliflozin tetrapropionate

SMILES

CCOC1=CC=C(CC2=C(Cl)C=CC(=C2)[C@]34OC[C@](COC(=O)CC)(O3)[C@@H](OC(=O)CC)[C@H](OC(=O)CC)[C@H]4OC(=O)CC)C=C1

InChI

InChIKey=FWIDUQHDAWANKJ-UBLLTGQXSA-N
InChI=1S/C34H41ClO11/c1-6-26(36)41-19-33-20-42-34(46-33,23-13-16-25(35)22(18-23)17-21-11-14-24(15-12-21)40-10-5)32(45-29(39)9-4)30(43-27(37)7-2)31(33)44-28(38)8-3/h11-16,18,30-32H,6-10,17,19-20H2,1-5H3/t30-,31-,32+,33-,34-/m0/s1

HIDE SMILES / InChI

Molecular Formula C34H41ClO11
Molecular Weight 661.136
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 5 / 5
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:11:31 GMT 2023
Edited
by admin
on Sat Dec 16 18:11:31 GMT 2023
Record UNII
Z3Z7MGA68Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ertugliflozin tetrapropionate
Common Name English
(1S,2S,3S,4R,5S)-5-(4-Chloro-3-(4-ethoxybenzyl)phenyl)-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol tetrapropanoate
Systematic Name English
Code System Code Type Description
CAS
2755949-10-9
Created by admin on Sat Dec 16 18:11:31 GMT 2023 , Edited by admin on Sat Dec 16 18:11:31 GMT 2023
PRIMARY
FDA UNII
Z3Z7MGA68Y
Created by admin on Sat Dec 16 18:11:31 GMT 2023 , Edited by admin on Sat Dec 16 18:11:31 GMT 2023
PRIMARY
PUBCHEM
162524794
Created by admin on Sat Dec 16 18:11:31 GMT 2023 , Edited by admin on Sat Dec 16 18:11:31 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY