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Details

Stereochemistry RACEMIC
Molecular Formula C20H23N3O2
Molecular Weight 337.4155
Optical Activity ( + / - )
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BITERTANOL, (R,S)-(±)-

SMILES

[H][C@](OC1=CC=C(C=C1)C2=CC=CC=C2)([C@H](O)C(C)(C)C)N3C=NC=N3

InChI

InChIKey=VGPIBGGRCVEHQZ-OALUTQOASA-N
InChI=1S/C20H23N3O2/c1-20(2,3)18(24)19(23-14-21-13-22-23)25-17-11-9-16(10-12-17)15-7-5-4-6-8-15/h4-14,18-19,24H,1-3H3/t18-,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23N3O2
Molecular Weight 337.4155
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 Sat Dec 16 11:00:17 GMT 2023
Edited
by admin
on Sat Dec 16 11:00:17 GMT 2023
Record UNII
E17H8D2V0L
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BITERTANOL, (R,S)-(±)-
Common Name English
1H-1,2,4-TRIAZOLE-1-ETHANOL, .BETA.-((1,1'-BIPHENYL)-4-YLOXY)-.ALPHA.-(1,1-DIMETHYLETHYL)-, (.ALPHA.R,.BETA.S)-REL-
Systematic Name English
Code System Code Type Description
FDA UNII
E17H8D2V0L
Created by admin on Sat Dec 16 11:00:17 GMT 2023 , Edited by admin on Sat Dec 16 11:00:17 GMT 2023
PRIMARY
CAS
70585-36-3
Created by admin on Sat Dec 16 11:00:17 GMT 2023 , Edited by admin on Sat Dec 16 11:00:17 GMT 2023
PRIMARY
EPA CompTox
DTXSID701031930
Created by admin on Sat Dec 16 11:00:17 GMT 2023 , Edited by admin on Sat Dec 16 11:00:17 GMT 2023
PRIMARY
PUBCHEM
176709
Created by admin on Sat Dec 16 11:00:17 GMT 2023 , Edited by admin on Sat Dec 16 11:00:17 GMT 2023
PRIMARY