5-HYDROXYMETHYL 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 Search

SMILES

CCC1=C(CO)C=C(C(=O)NC2(CCCCC2)C(O)=O)C(=O)N1CC3=CC=C(F)C=C3

InChI

InChIKey=POVOKWPHTMKGRQ-UHFFFAOYSA-N

InChI=1S/C23H27FN2O5/c1-2-19-16(14-27)12-18(20(28)25-23(22(30)31)10-4-3-5-11-23)21(29)26(19)13-15-6-8-17(24)9-7-15/h6-9,12,27H,2-5,10-11,13-14H2,1H3,(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 16:47:03 GMT 2025` Edited by `admin` on `Tue Apr 01 16:47:03 GMT 2025`
Record UNII	DUS71Y6HNF
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-777469 5-HM METABOLITE

Preferred Name

English

5-HYDROXYMETHYL S-777469

Code

English

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

Systematic Name

English

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

Systematic Name

English

S-777469 5-HYDROXYMETHYL METABOLITE

Code

English

Code System Code Type Description

PUBCHEM

137331843

Created by admin on Tue Apr 01 16:47:03 GMT 2025 , Edited by admin on Tue Apr 01 16:47:03 GMT 2025

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CAS

1616864-86-8

Created by admin on Tue Apr 01 16:47:03 GMT 2025 , Edited by admin on Tue Apr 01 16:47:03 GMT 2025

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FDA UNII

DUS71Y6HNF

Created by admin on Tue Apr 01 16:47:03 GMT 2025 , Edited by admin on Tue Apr 01 16:47:03 GMT 2025

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