Ertugliflozin

Name: Ertugliflozin — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₂₂H₂₅ClO₇ — CID 44814423

💊View drug profile → ertugliflozin

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol

SMILESCCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1

InChIInChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1

InChIKeyMCIACXAZCBVDEE-CUUWFGFTSA-N

MW436.89 g/mol

LogP1.36

Rot. Bonds6

About Ertugliflozin

Ertugliflozin (PubChem CID 44814423) has the molecular formula C₂₂H₂₅ClO₇ and a molecular weight of 436.89 g/mol. Its IUPAC name is (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.

Molecular Properties

Compound Name	Ertugliflozin
PubChem CID	44814423
Molecular Formula	C₂₂H₂₅ClO₇
Molecular Weight	436.89 g/mol
Exact Mass	436.13
IUPAC Name	(1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol
SMILES	CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1
InChI	InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1
InChIKey	MCIACXAZCBVDEE-CUUWFGFTSA-N
XLogP	1.36
TPSA	108.61 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	30
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.89
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Ertugliflozin?

The IUPAC name of Ertugliflozin (CID 44814423) is (1S,2S,3S,4R,5S)-5-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-1-(hydroxymethyl)-6,8-dioxabicyclo[3.2.1]octane-2,3,4-triol.

What is the SMILES notation for Ertugliflozin?

The canonical SMILES for Ertugliflozin is CCOc1ccc(Cc2cc([C@]34OC[C@](CO)(O3)[C@@H](O)[C@H](O)[C@H]4O)ccc2Cl)cc1.

What is the InChIKey of Ertugliflozin?

The InChIKey is MCIACXAZCBVDEE-CUUWFGFTSA-N. The full InChI is InChI=1S/C22H25ClO7/c1-2-28-16-6-3-13(4-7-16)9-14-10-15(5-8-17(14)23)22-20(27)18(25)19(26)21(11-24,30-22)12-29-22/h3-8,10,18-20,24-27H,2,9,11-12H2,1H3/t18-,19-,20+,21-,22-/m0/s1.

What are the key properties of Ertugliflozin?

Ertugliflozin has a molecular weight of 436.89 g/mol, XLogP of 1.36, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Ertugliflozin is sourced from PubChem (CID 44814423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Browse: Molecules: E · all molecules A–Z · drugs A–Z · protein targets A–Z.

Sources

PubChem CID 44814423 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 5270 — approved-drug record (CC BY-SA 4.0)

How this page is built: methodology · editorial policy & corrections.

For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.