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Details

Stereochemistry ABSOLUTE
Molecular Formula C18H13ClF3N3O2
Molecular Weight 395.763
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BAY-41-4109

SMILES

COC(=O)C1=C(C)NC(=N[C@H]1C2=CC=C(F)C=C2Cl)C3=NC=C(F)C=C3F

InChI

InChIKey=FVNJBPMQWSIGJK-HNNXBMFYSA-N
InChI=1S/C18H13ClF3N3O2/c1-8-14(18(26)27-2)15(11-4-3-9(20)5-12(11)19)25-17(24-8)16-13(22)6-10(21)7-23-16/h3-7,15H,1-2H3,(H,24,25)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C18H13ClF3N3O2
Molecular Weight 395.763
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 09:17:41 UTC 2023
Edited
by admin
on Sat Dec 16 09:17:41 UTC 2023
Record UNII
M862I4T61O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BAY-41-4109
Common Name English
5-PYRIMIDINECARBOXYLIC ACID, 4-(2-CHLORO-4-FLUOROPHENYL)-2-(3,5-DIFLUORO-2-PYRIDINYL)-1,4-DIHYDRO-6-METHYL-, METHYL ESTER, (4R)-
Systematic Name English
(-)-BAY-41-4109
Common Name English
Code System Code Type Description
FDA UNII
M862I4T61O
Created by admin on Sat Dec 16 09:17:41 UTC 2023 , Edited by admin on Sat Dec 16 09:17:41 UTC 2023
PRIMARY
PUBCHEM
489221
Created by admin on Sat Dec 16 09:17:41 UTC 2023 , Edited by admin on Sat Dec 16 09:17:41 UTC 2023
PRIMARY
EPA CompTox
DTXSID401107166
Created by admin on Sat Dec 16 09:17:41 UTC 2023 , Edited by admin on Sat Dec 16 09:17:41 UTC 2023
PRIMARY
CAS
298708-81-3
Created by admin on Sat Dec 16 09:17:41 UTC 2023 , Edited by admin on Sat Dec 16 09:17:41 UTC 2023
PRIMARY
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