.BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-1H-PYRROLIZINE-5-ACETATE)

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C29H30ClNO9
Molecular Weight	572.003
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 5
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of .BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-1H-PYRROLIZINE-5-ACETATE)

Structure Search

SMILES

CC1(C)CN2C(CC(=O)O[C@@H]3O[C@@H]([C@@H](O)[C@H](O)[C@H]3O)C(O)=O)=C(C(=C2C1)C4=CC=C(O)C=C4)C5=CC=C(Cl)C=C5

InChI

InChIKey=LXLRVOZCAXHOTL-NLMMERCGSA-N

InChI=1S/C29H30ClNO9/c1-29(2)12-19-22(15-5-9-17(32)10-6-15)21(14-3-7-16(30)8-4-14)18(31(19)13-29)11-20(33)39-28-25(36)23(34)24(35)26(40-28)27(37)38/h3-10,23-26,28,32,34-36H,11-13H2,1-2H3,(H,37,38)/t23-,24-,25+,26-,28+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C29H30ClNO9
Molecular Weight	572.003
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 `Wed Apr 02 06:05:45 GMT 2025` Edited by `admin` on `Wed Apr 02 06:05:45 GMT 2025`
Record UNII	URP9956TEA
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

LICOFELONE METABOLITE M5

Preferred Name

English

.BETA.-D-GLUCOPYRANURONIC ACID, 1-(6-(4-CHLOROPHENYL)-2,3-DIHYDRO-7-(4-HYDROXYPHENYL)-2,2-DIMETHYL-1H-PYRROLIZINE-5-ACETATE)

Systematic Name

English

Code System Code Type Description

FDA UNII

URP9956TEA

Created by admin on Wed Apr 02 06:05:45 GMT 2025 , Edited by admin on Wed Apr 02 06:05:45 GMT 2025

PRIMARY

PUBCHEM

156596453

Created by admin on Wed Apr 02 06:05:45 GMT 2025 , Edited by admin on Wed Apr 02 06:05:45 GMT 2025

PRIMARY

CAS

1033702-63-4

Created by admin on Wed Apr 02 06:05:45 GMT 2025 , Edited by admin on Wed Apr 02 06:05:45 GMT 2025

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