AGI-17011

Details

Stereochemistry	UNKNOWN
Molecular Formula	C19H17F6N7O2
Molecular Weight	489.3744
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(O)(CO)CNC1=NC(NC2=CC(=NC=C2)C(F)(F)F)=NC(=N1)C3=NC(=CC=C3)C(F)(F)F

InChI

InChIKey=SMJJXIFZXFCVIW-UHFFFAOYSA-N

InChI=1S/C19H17F6N7O2/c1-17(34,9-33)8-27-15-30-14(11-3-2-4-12(29-11)18(20,21)22)31-16(32-15)28-10-5-6-26-13(7-10)19(23,24)25/h2-7,33-34H,8-9H2,1H3,(H2,26,27,28,30,31,32)

HIDE SMILES / InChI

Molecular Formula	C19H17F6N7O2
Molecular Weight	489.3744
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 14:11:31 GMT 2023` Edited by `admin` on `Sat Dec 16 14:11:31 GMT 2023`
Record UNII	BPS4D3VDI2
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

AGI-17011

Code

English

ENASIDENIB METABOLITE M2

Common Name

English

2-METHYL-3-((4-(6-(TRIFLUOROMETHYL)PYRIDIN-2-YL)-6-((2-(TRIFLUOROMETHYL)PYRIDIN-4-YL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)PROPANE-1,2-DIOL

Systematic Name

English

Code System Code Type Description

PUBCHEM

133083019

Created by admin on Sat Dec 16 14:11:31 GMT 2023 , Edited by admin on Sat Dec 16 14:11:31 GMT 2023

PRIMARY

FDA UNII

BPS4D3VDI2

Created by admin on Sat Dec 16 14:11:31 GMT 2023 , Edited by admin on Sat Dec 16 14:11:31 GMT 2023

PRIMARY

Related Record Type Details


					3T1SS4E7AG

ENASIDENIB

PARENT -> METABOLITE ACTIVE