7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-1H-INDOLE-5-ACETIC ACID

Details

Stereochemistry	RACEMIC
Molecular Formula	C25H38N2O4
Molecular Weight	430.5802
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-1H-INDOLE-5-ACETIC ACID

Structure Search

SMILES

CC(O)CCCCCCN1C=CC2=C(C)C(CC(O)=O)=C(C)C(NC(=O)C(C)(C)C)=C12

InChI

InChIKey=OFQFNYYEQNMABA-UHFFFAOYSA-N

InChI=1S/C25H38N2O4/c1-16(28)11-9-7-8-10-13-27-14-12-19-17(2)20(15-21(29)30)18(3)22(23(19)27)26-24(31)25(4,5)6/h12,14,16,28H,7-11,13,15H2,1-6H3,(H,26,31)(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C25H38N2O4
Molecular Weight	430.5802
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 16:11:46 UTC 2023` Edited by `admin` on `Sat Dec 16 16:11:46 UTC 2023`
Record UNII	RF2NLY247R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-1H-INDOLE-5-ACETIC ACID

Systematic Name

English

PACTIMIBE METABOLITE M2

Common Name

English

1H-INDOLE-5-ACETIC ACID, 7-((2,2-DIMETHYL-1-OXOPROPYL)AMINO)-1-(7-HYDROXYOCTYL)-4,6-DIMETHYL-

Systematic Name

English

Code System Code Type Description

FDA UNII

RF2NLY247R

Created by admin on Sat Dec 16 16:11:46 UTC 2023 , Edited by admin on Sat Dec 16 16:11:46 UTC 2023

PRIMARY

PUBCHEM

154731618

Created by admin on Sat Dec 16 16:11:46 UTC 2023 , Edited by admin on Sat Dec 16 16:11:46 UTC 2023

PRIMARY

CAS

1021494-33-6

Created by admin on Sat Dec 16 16:11:46 UTC 2023 , Edited by admin on Sat Dec 16 16:11:46 UTC 2023

PRIMARY

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PACTIMIBE

PARENT -> METABOLITE

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