TAK-187

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H20F6N6O3
Molecular Weight	542.4337
Optical Activity	UNSPECIFIED
Defined Stereocenters	2 / 2
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

C[C@@H](N1N=CN(C1=O)C2=CC=C(OCC(F)(F)C(F)F)C=C2)[C@](O)(CN3C=NC=N3)C4=C(F)C=C(F)C=C4

InChI

InChIKey=CBHTUKXHISWMTH-JLCFBVMHSA-N

InChI=1S/C23H20F6N6O3/c1-14(22(37,9-33-12-30-11-31-33)18-7-2-15(24)8-19(18)25)35-21(36)34(13-32-35)16-3-5-17(6-4-16)38-10-23(28,29)20(26)27/h2-8,11-14,20,37H,9-10H2,1H3/t14-,22-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C23H20F6N6O3
Molecular Weight	542.4337
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	2 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 15:30:38 GMT 2023` Edited by `admin` on `Fri Dec 15 15:30:38 GMT 2023`
Record UNII	08VSM3612T
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

TAK-187

Code

English

3H-1,2,4-TRIAZOL-3-ONE, 2-((1R,2R)-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY-1-METHYL-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-2,4-DIHYDRO-4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-

Systematic Name

English

2-((1R,2R)-2-(2,4-DIFLUOROPHENYL)-2-HYDROXY)-1-METHYL-3-(1H-1,2,4-TRIAZOL-1-YL)PROPYL)-4-(4-(2,2,3,3-TETRAFLUOROPROPOXY)PHENYL)-3-(2H,4H)-1,2,4-TRIAZOLONE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20935209

Created by admin on Fri Dec 15 15:30:38 GMT 2023 , Edited by admin on Fri Dec 15 15:30:38 GMT 2023

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CAS

155432-64-7

Created by admin on Fri Dec 15 15:30:38 GMT 2023 , Edited by admin on Fri Dec 15 15:30:38 GMT 2023

PRIMARY

FDA UNII

08VSM3612T

Created by admin on Fri Dec 15 15:30:38 GMT 2023 , Edited by admin on Fri Dec 15 15:30:38 GMT 2023

PRIMARY

PUBCHEM

479655

Created by admin on Fri Dec 15 15:30:38 GMT 2023 , Edited by admin on Fri Dec 15 15:30:38 GMT 2023

PRIMARY