Empagliflozin

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

C₂₃H₂₇ClO₇ — CID 11949646

💊View drug profile → empagliflozin

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

IUPAC(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILESOC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O

InChIInChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1

InChIKeyOBWASQILIWPZMG-QZMOQZSNSA-N

MW450.92 g/mol

LogP1.61

Rot. Bonds6

About Empagliflozin

Empagliflozin (PubChem CID 11949646) has the molecular formula C₂₃H₂₇ClO₇ and a molecular weight of 450.92 g/mol. Its IUPAC name is (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

Molecular Properties

Compound Name	Empagliflozin
PubChem CID	11949646
Molecular Formula	C₂₃H₂₇ClO₇
Molecular Weight	450.92 g/mol
Exact Mass	450.14
IUPAC Name	(2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol
SMILES	OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
InChI	InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1
InChIKey	OBWASQILIWPZMG-QZMOQZSNSA-N
XLogP	1.61
TPSA	108.61 Å²
H-Bond Donors	4
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.92
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Empagliflozin?

The IUPAC name of Empagliflozin (CID 11949646) is (2S,3R,4R,5S,6R)-2-[4-chloro-3-[[4-[(3S)-oxolan-3-yl]oxyphenyl]methyl]phenyl]-6-(hydroxymethyl)oxane-3,4,5-triol.

What is the SMILES notation for Empagliflozin?

The canonical SMILES for Empagliflozin is OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(O[C@H]4CCOC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O.

What is the InChIKey of Empagliflozin?

The InChIKey is OBWASQILIWPZMG-QZMOQZSNSA-N. The full InChI is InChI=1S/C23H27ClO7/c24-18-6-3-14(23-22(28)21(27)20(26)19(11-25)31-23)10-15(18)9-13-1-4-16(5-2-13)30-17-7-8-29-12-17/h1-6,10,17,19-23,25-28H,7-9,11-12H2/t17-,19+,20+,21-,22+,23-/m0/s1.

What are the key properties of Empagliflozin?

Empagliflozin has a molecular weight of 450.92 g/mol, XLogP of 1.61, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for Empagliflozin is sourced from PubChem (CID 11949646), 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 11949646 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 4830 — approved-drug record (CC BY-SA 4.0)

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