Clofedanol O-β-D-Glucuronide

Details

Stereochemistry	EPIMERIC
Molecular Formula	C23H28ClNO7
Molecular Weight	465.924
Optical Activity	UNSPECIFIED
Defined Stereocenters	5 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Clofedanol O-β-D-Glucuronide

Structure Search

SMILES

CN(C)CCC(O[C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)C(O)=O)(C2=CC=CC=C2)C3=C(Cl)C=CC=C3

InChI

InChIKey=OMHMHPGOIYNCEV-FXACLYGNSA-N

InChI=1S/C23H28ClNO7/c1-25(2)13-12-23(14-8-4-3-5-9-14,15-10-6-7-11-16(15)24)32-22-19(28)17(26)18(27)20(31-22)21(29)30/h3-11,17-20,22,26-28H,12-13H2,1-2H3,(H,29,30)/t17-,18-,19+,20-,22-,23?/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28ClNO7
Molecular Weight	465.924
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 19:52:15 GMT 2023` Edited by `admin` on `Sat Dec 16 19:52:15 GMT 2023`
Record UNII	7PCB2RSM3T
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Clofedanol O-β-D-Glucuronide

Common Name

English

Clofedanol O-b-D-Glucuronide

Common Name

English

1-(2-Chlorophenyl)-3-(dimethylamino)-1-phenylpropyl β-D-glucopyranosiduronic acid

Systematic Name

English

(2R,3S,4S,5S,6S)-6-[1-(2-chlorophenyl)-3-dimethylamino-1-phenylpropoxy]-3,4,5-trihydroxyoxane-2-carboxylic acid

Systematic Name

English

β-D-Glucopyranosiduronic acid, 1-(2-chlorophenyl)-3-(dimethylamino)-1-phenylpropyl

Systematic Name

English

Code System Code Type Description

CAS

66171-85-5

Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023

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FDA UNII

7PCB2RSM3T

Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023

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PUBCHEM

71314926

Created by admin on Sat Dec 16 19:52:15 GMT 2023 , Edited by admin on Sat Dec 16 19:52:15 GMT 2023

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