6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C20H20FN7O3
Molecular Weight	425.4163
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID

SMILES

CCN1N=CN=C1COC2=NN3C(C=C2C(C)(C)C(O)=O)=NN=C3C4=CC=CC=C4F

InChI

InChIKey=MRXAQYJDRLMCKT-UHFFFAOYSA-N

InChI=1S/C20H20FN7O3/c1-4-27-16(22-11-23-27)10-31-18-13(20(2,3)19(29)30)9-15-24-25-17(28(15)26-18)12-7-5-6-8-14(12)21/h5-9,11H,4,10H2,1-3H3,(H,29,30)

HIDE SMILES / InChI

Molecular Formula	C20H20FN7O3
Molecular Weight	425.4163
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical
Record UNII	V26KUX597Z
Record Status	`Validated (UNII)`
Record Version

Show entries

Name

Type

Language

6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID

Systematic Name

English

1,2,4-TRIAZOLO(4,3-B)PYRIDAZINE-7-ACETIC ACID, 6-((1-ETHYL-1H-1,2,4-TRIAZOL-5-YL)METHOXY)-3-(2-FLUOROPHENYL)-.ALPHA.,.ALPHA.-DIMETHYL-

Systematic Name

English

TPA023 METABOLITE M10

Common Name

English

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Code System

Code

Type

Description

PUBCHEM

154572877

PRIMARY

CAS

908140-81-8

PRIMARY

FDA UNII

V26KUX597Z

PRIMARY

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