S-63845

Details

Stereochemistry	RACEMIC
Molecular Formula	C39H37ClF4N6O6S
Molecular Weight	829.259
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CN1CCN(CCOC2=C(Cl)C(C)=C(C=C2)C3=C(SC4=NC=NC(OC(CC5=C(OCC6=CC=NN6CC(F)(F)F)C=CC=C5)C(O)=O)=C34)C7=CC=C(F)O7)CC1

InChI

InChIKey=ZFBHXVOCZBPADE-UHFFFAOYSA-N

InChI=1S/C39H37ClF4N6O6S/c1-23-26(7-8-28(34(23)40)53-18-17-49-15-13-48(2)14-16-49)32-33-36(45-22-46-37(33)57-35(32)29-9-10-31(41)55-29)56-30(38(51)52)19-24-5-3-4-6-27(24)54-20-25-11-12-47-50(25)21-39(42,43)44/h3-12,22,30H,13-21H2,1-2H3,(H,51,52)

HIDE SMILES / InChI

Molecular Formula	C39H37ClF4N6O6S
Molecular Weight	829.259
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 14:25:31 GMT 2023` Edited by `admin` on `Sat Dec 16 14:25:31 GMT 2023`
Record UNII	TVF3XUQ4PG
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

S-63845

Common Name

English

BENZENEPROPANOIC ACID, .ALPHA.-(((5S)-5-(3-CHLORO-2-METHYL-4-(2-(4-METHYL-1-PIPERAZINYL)ETHOXY)PHENYL)-6-(5-FLUORO-2-FURANYL)THIENO(2,3-D)PYRIMIDIN-4-YL)OXY)-2-((1-(2,2,2-TRIFLUOROETHYL)-1H-PYRAZOL-5-YL)METHOXY)-, (.ALPHA.R)-

Systematic Name

English

S 63845

Code

English

S 63845 [WHO-DD]

Common Name

English

Code System Code Type Description

PUBCHEM

126970642

Created by admin on Sat Dec 16 14:25:31 GMT 2023 , Edited by admin on Sat Dec 16 14:25:31 GMT 2023

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FDA UNII

TVF3XUQ4PG

Created by admin on Sat Dec 16 14:25:31 GMT 2023 , Edited by admin on Sat Dec 16 14:25:31 GMT 2023

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EPA CompTox

DTXSID20109830

Created by admin on Sat Dec 16 14:25:31 GMT 2023 , Edited by admin on Sat Dec 16 14:25:31 GMT 2023

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CAS

1799633-27-4

Created by admin on Sat Dec 16 14:25:31 GMT 2023 , Edited by admin on Sat Dec 16 14:25:31 GMT 2023

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