Etodolac Acyl-β-D-glucuronide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H29NO9
Molecular Weight	463.4777
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Etodolac Acyl-β-D-glucuronide

Structure Search

SMILES

CCC1=C2NC3=C(CCOC3(CC)CC(=O)O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4O)C(O)=O)C2=CC=C1

InChI

InChIKey=XJZNMEMKZBFUIZ-GWDFKZQESA-N

InChI=1S/C23H29NO9/c1-3-11-6-5-7-12-13-8-9-31-23(4-2,20(13)24-15(11)12)10-14(25)32-22-18(28)16(26)17(27)19(33-22)21(29)30/h5-7,16-19,22,24,26-28H,3-4,8-10H2,1-2H3,(H,29,30)/t16-,17-,18+,19-,22+,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H29NO9
Molecular Weight	463.4777
Charge	0
Count

Stereochemistry	EPIMERIC
Additional Stereochemistry	No
Defined Stereocenters	5 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 19:56:44 GMT 2023` Edited by `admin` on `Sat Dec 16 19:56:44 GMT 2023`
Record UNII	L3HMQ99KDW
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

Etodolac Acyl-β-D-glucuronide

Common Name

English

β-D-Glucopyranuronic acid, 1-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indole-1-acetate)

Systematic Name

English

(3R,4R,5R,6R)-6-(2-(1,8-diethyl-1,3,4,9-tetrahydropyrano[3,4-b]indol-1-yl)acetoxy)-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid

Systematic Name

English

rac Etodolac acyl-b-D-glucuronide

Common Name

English

Etodolac glucuronide

Common Name

English

Etodolac Acyl Glucuronide

Common Name

English

Code System Code Type Description

CAS

79541-43-8

Created by admin on Sat Dec 16 19:56:44 GMT 2023 , Edited by admin on Sat Dec 16 19:56:44 GMT 2023

PRIMARY

FDA UNII

L3HMQ99KDW

Created by admin on Sat Dec 16 19:56:44 GMT 2023 , Edited by admin on Sat Dec 16 19:56:44 GMT 2023

PRIMARY

PUBCHEM

71316689

Created by admin on Sat Dec 16 19:56:44 GMT 2023 , Edited by admin on Sat Dec 16 19:56:44 GMT 2023

PRIMARY