AGI-16903

Details

Stereochemistry	ACHIRAL
Molecular Formula	C15H9F6N7
Molecular Weight	401.2693
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

NC1=NC(=NC(NC2=CC(=NC=C2)C(F)(F)F)=N1)C3=CC=CC(=N3)C(F)(F)F

InChI

InChIKey=PBSZKXPXOCSCCC-UHFFFAOYSA-N

InChI=1S/C15H9F6N7/c16-14(17,18)9-3-1-2-8(25-9)11-26-12(22)28-13(27-11)24-7-4-5-23-10(6-7)15(19,20)21/h1-6H,(H3,22,23,24,26,27,28)

HIDE SMILES / InChI

Molecular Formula	C15H9F6N7
Molecular Weight	401.2693
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 22:27:58 GMT 2025` Edited by `admin` on `Tue Apr 01 22:27:58 GMT 2025`
Record UNII	I9T48NEM1K
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

AGI-16903

Code

English

ENASIDENIB METABOLITE M1

Preferred Name

English

1,3,5-TRIAZINE-2,4-DIAMINE, N2-(2-(TRIFLUOROMETHYL)-4-PYRIDINYL)-6-(6-(TRIFLUOROMETHYL)-2-PYRIDINYL)-

Systematic Name

English

6-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-N-(2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)-1,3,5-TRIAZINE-2,4-DIAMINE

Systematic Name

English

Code System Code Type Description

FDA UNII

I9T48NEM1K

Created by admin on Tue Apr 01 22:27:58 GMT 2025 , Edited by admin on Tue Apr 01 22:27:58 GMT 2025

PRIMARY

PUBCHEM

86582944

Created by admin on Tue Apr 01 22:27:58 GMT 2025 , Edited by admin on Tue Apr 01 22:27:58 GMT 2025

PRIMARY

CAS

1643852-84-9

Created by admin on Tue Apr 01 22:27:58 GMT 2025 , Edited by admin on Tue Apr 01 22:27:58 GMT 2025

PRIMARY

Related Record Type Details


					76UB6O122H

ATP-BINDING CASSETTE SUB-FAMILY G MEMBER 2

TRANSPORTER -> SUBSTRATE


					22ES734693

MULTIDRUG RESISTANCE PROTEIN 1

TRANSPORTER -> SUBSTRATE

Related Record Type Details


					3T1SS4E7AG

ENASIDENIB

PARENT -> METABOLITE ACTIVE