6-DE(ETHYL)-6-HYDROXYETHYL S-777469

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H27FN2O5
Molecular Weight	430.4693
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-DE(ETHYL)-6-HYDROXYETHYL S-777469

Structure Search

SMILES

CC1=C(CCO)N(CC2=CC=C(F)C=C2)C(=O)C(=C1)C(=O)NC3(CCCCC3)C(O)=O

InChI

InChIKey=HMBDQZXHQILRLS-UHFFFAOYSA-N

InChI=1S/C23H27FN2O5/c1-15-13-18(20(28)25-23(22(30)31)10-3-2-4-11-23)21(29)26(19(15)9-12-27)14-16-5-7-17(24)8-6-16/h5-8,13,27H,2-4,9-12,14H2,1H3,(H,25,28)(H,30,31)

HIDE SMILES / InChI

Molecular Formula	C23H27FN2O5
Molecular Weight	430.4693
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 16:29:37 GMT 2025` Edited by `admin` on `Tue Apr 01 16:29:37 GMT 2025`
Record UNII	AV7ULU5ENR
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-DE(ETHYL)-6-HYDROXYETHYL S-777469

Code

English

S-777469 6-HE METABOLITE

Preferred Name

English

CYCLOHEXANECARBOXYLIC ACID, 1-(((1-((4-FLUOROPHENYL)METHYL)-1,2-DIHYDRO-6-(2-HYDROXYETHYL)-5-METHYL-2-OXO-3-PYRIDINYL)CARBONYL)AMINO)-

Systematic Name

English

S-777469 6-HYDROXYETHYL METABOLITE

Code

English

Code System Code Type Description

PUBCHEM

137331922

Created by admin on Tue Apr 01 16:29:37 GMT 2025 , Edited by admin on Tue Apr 01 16:29:37 GMT 2025

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FDA UNII

AV7ULU5ENR

Created by admin on Tue Apr 01 16:29:37 GMT 2025 , Edited by admin on Tue Apr 01 16:29:37 GMT 2025

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CAS

1616864-89-1

Created by admin on Tue Apr 01 16:29:37 GMT 2025 , Edited by admin on Tue Apr 01 16:29:37 GMT 2025

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