U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C18H15NO2
Molecular Weight 277.3172
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4'-(2-PYRIDYLMETHYLENE)DIPHENOL

SMILES

OC1=CC=C(C=C1)C(C2=NC=CC=C2)C3=CC=CC=C3O

InChI

InChIKey=IUAQDGAFHHTBPU-UHFFFAOYSA-N
InChI=1S/C18H15NO2/c20-14-10-8-13(9-11-14)18(16-6-3-4-12-19-16)15-5-1-2-7-17(15)21/h1-12,18,20-21H

HIDE SMILES / InChI

Molecular Formula C18H15NO2
Molecular Weight 277.3172
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 07:01:51 UTC 2023
Edited
by admin
on Sat Dec 16 07:01:51 UTC 2023
Record UNII
2E2GA7AVTD
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4'-(2-PYRIDYLMETHYLENE)DIPHENOL
Systematic Name English
PHENOL, 2,4'-(2-PYRIDYLMETHYLENE)DI-
Systematic Name English
PHENOL, 2-((4-HYDROXYPHENYL)-2-PYRIDINYLMETHYL)-
Systematic Name English
BISACODYL RELATED COMPOUND B
USP   USP-RS  
Common Name English
(±)-2,4'-(2-PYRIDYLMETHYLENE)DIPHENOL
Systematic Name English
BISACODYL RELATED COMPOUND B [USP-RS]
Common Name English
BISACODYL RELATED COMPOUND B [USP IMPURITY]
Common Name English
BISACODYL IMPURITY B [EP IMPURITY]
Common Name English
Code System Code Type Description
FDA UNII
2E2GA7AVTD
Created by admin on Sat Dec 16 07:01:51 UTC 2023 , Edited by admin on Sat Dec 16 07:01:51 UTC 2023
PRIMARY
PUBCHEM
71491790
Created by admin on Sat Dec 16 07:01:51 UTC 2023 , Edited by admin on Sat Dec 16 07:01:51 UTC 2023
PRIMARY
RS_ITEM_NUM
1074042
Created by admin on Sat Dec 16 07:01:51 UTC 2023 , Edited by admin on Sat Dec 16 07:01:51 UTC 2023
PRIMARY
EPA CompTox
DTXSID801254175
Created by admin on Sat Dec 16 07:01:51 UTC 2023 , Edited by admin on Sat Dec 16 07:01:51 UTC 2023
PRIMARY
CAS
16985-05-0
Created by admin on Sat Dec 16 07:01:51 UTC 2023 , Edited by admin on Sat Dec 16 07:01:51 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP