Glucametacin

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

C₂₅H₂₇ClN₂O₈ — CID 122173796

💊View drug profile → glucametacin

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

IUPAC2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide

SMILESCOc1ccc2c(c1)c(CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1

InChIInChI=1S/C25H27ClN2O8/c1-12-16(10-20(30)27-21-23(32)22(31)19(11-29)36-25(21)34)17-9-15(35-2)7-8-18(17)28(12)24(33)13-3-5-14(26)6-4-13/h3-9,19,21-23,25,29,31-32,34H,10-11H2,1-2H3,(H,27,30)/t19-,21-,22-,23-,25?/m1/s1

InChIKeyLGAJOMLFGCSBFF-XVBLYABRSA-N

MW518.95 g/mol

LogP0.76

Rot. Bonds6

About Glucametacin

Glucametacin (PubChem CID 122173796) has the molecular formula C₂₅H₂₇ClN₂O₈ and a molecular weight of 518.95 g/mol. Its IUPAC name is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

Molecular Properties

Compound Name	Glucametacin
PubChem CID	122173796
Molecular Formula	C₂₅H₂₇ClN₂O₈
Molecular Weight	518.95 g/mol
Exact Mass	518.15
IUPAC Name	2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
SMILES	COc1ccc2c(c1)c(CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1
InChI	InChI=1S/C25H27ClN2O8/c1-12-16(10-20(30)27-21-23(32)22(31)19(11-29)36-25(21)34)17-9-15(35-2)7-8-18(17)28(12)24(33)13-3-5-14(26)6-4-13/h3-9,19,21-23,25,29,31-32,34H,10-11H2,1-2H3,(H,27,30)/t19-,21-,22-,23-,25?/m1/s1
InChIKey	LGAJOMLFGCSBFF-XVBLYABRSA-N
XLogP	0.76
TPSA	150.48 Å²
H-Bond Donors	5
H-Bond Acceptors	9
Rotatable Bonds	6
Heavy Atoms	36
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.95
LogP ≤ 5	0.76
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	9

Related Compounds

Frequently Asked Questions

What is the IUPAC name of Glucametacin?

The IUPAC name of Glucametacin (CID 122173796) is 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-N-[(3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide.

What is the SMILES notation for Glucametacin?

The canonical SMILES for Glucametacin is COc1ccc2c(c1)c(CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O)[C@@H]1O)c(C)n2C(=O)c1ccc(Cl)cc1.

What is the InChIKey of Glucametacin?

The InChIKey is LGAJOMLFGCSBFF-XVBLYABRSA-N. The full InChI is InChI=1S/C25H27ClN2O8/c1-12-16(10-20(30)27-21-23(32)22(31)19(11-29)36-25(21)34)17-9-15(35-2)7-8-18(17)28(12)24(33)13-3-5-14(26)6-4-13/h3-9,19,21-23,25,29,31-32,34H,10-11H2,1-2H3,(H,27,30)/t19-,21-,22-,23-,25?/m1/s1.

What are the key properties of Glucametacin?

Glucametacin has a molecular weight of 518.95 g/mol, XLogP of 0.76, 6 rotatable bonds, 5 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for Glucametacin is sourced from PubChem (CID 122173796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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

Sources

PubChem CID 122173796 — identifiers, structure, computed properties (public domain)
DrugCentral drug card 1306 — approved-drug record (CC BY-SA 4.0)

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