5-CARBOCYLIC ACID S-777469

Details

Stereochemistry	ACHIRAL
Molecular Formula	C23H25FN2O6
Molecular Weight	444.4528
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

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

InChI

InChIKey=ZWOIYWQQKANPJM-UHFFFAOYSA-N

InChI=1S/C23H25FN2O6/c1-2-18-16(21(29)30)12-17(19(27)25-23(22(31)32)10-4-3-5-11-23)20(28)26(18)13-14-6-8-15(24)9-7-14/h6-9,12H,2-5,10-11,13H2,1H3,(H,25,27)(H,29,30)(H,31,32)

HIDE SMILES / InChI

Molecular Formula	C23H25FN2O6
Molecular Weight	444.4528
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 `Sat Dec 16 11:28:27 UTC 2023` Edited by `admin` on `Sat Dec 16 11:28:27 UTC 2023`
Record UNII	PX1Y3QFG1A
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

5-CARBOCYLIC ACID S-777469

Code

English

S-777469 5-CA METABOLITE

Code

English

S-777469 5-CARBOCYLIC ACID METABOLITE

Code

English

3-PYRIDINECARBOXYLIC ACID, 5-(((1-CARBOXYCYCLOHEXYL)AMINO)CARBONYL)-2-ETHYL-1-((4-FLUOROPHENYL)METHYL)-1,6-DIHYDRO-6-OXO-

Systematic Name

English

Code System Code Type Description

PUBCHEM

137331875

Created by admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023

PRIMARY

FDA UNII

PX1Y3QFG1A

Created by admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023

PRIMARY

CAS

1616864-90-4

Created by admin on Sat Dec 16 11:28:27 UTC 2023 , Edited by admin on Sat Dec 16 11:28:27 UTC 2023

PRIMARY

Related Record Type Details


					88NI79737I

S-777469

PARENT -> METABOLITE INACTIVE

Interaction Type:

MAJOR

Qualification:

FECAL; PLASMA; URINE