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

Details

Stereochemistry RACEMIC
Molecular Formula C22H19NO4
Molecular Weight 361.3906
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4'-(PYRIDIN-2-YLMETHYLENE)DIPHENYL DIACETATE

SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=NC=CC=C2)C3=CC=CC=C3OC(C)=O

InChI

InChIKey=AHHCJZMFNZPHLD-UHFFFAOYSA-N
InChI=1S/C22H19NO4/c1-15(24)26-18-12-10-17(11-13-18)22(20-8-5-6-14-23-20)19-7-3-4-9-21(19)27-16(2)25/h3-14,22H,1-2H3

HIDE SMILES / InChI
Molecular Formula C22H19NO4
Molecular Weight 361.3906
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Unknown
139594
Substance Class Chemical
Created
by admin
on Sat Dec 16 07:38:19 GMT 2023
Edited
by admin
on Sat Dec 16 07:38:19 GMT 2023
Record UNII
276EMM63AK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4'-(PYRIDIN-2-YLMETHYLENE)DIPHENYL DIACETATE
Systematic Name English
BISACODYL RELATED COMPOUND E
USP   USP-RS  
Common Name English
PHENOL, 2-((4-(ACETYLOXY)PHENYL)-2-PYRIDINYLMETHYL)-, 1-ACETATE
Common Name English
PHENOL, 2,4'-(2-PYRIDYLMETHYLENE)DI-, DIACETATE
Systematic Name English
2-((RS)-(4-(ACETYLOXY)PHENYL)(PYRIDIN-2-YL)METHYL)PHENYL ACETATE
Systematic Name English
BISACODYL RELATED COMPOUND E [USP IMPURITY]
Common Name English
BISACODYL RELATED COMPOUND E [USP-RS]
Common Name English
2,4'BISACODYL ANALOG
Common Name English
BISACODYL IMPURITY E [EP IMPURITY]
Common Name English
Code System Code Type Description
RS_ITEM_NUM
1074073
Created by admin on Sat Dec 16 07:38:20 GMT 2023 , Edited by admin on Sat Dec 16 07:38:20 GMT 2023
PRIMARY
PUBCHEM
71587416
Created by admin on Sat Dec 16 07:38:20 GMT 2023 , Edited by admin on Sat Dec 16 07:38:20 GMT 2023
PRIMARY
FDA UNII
276EMM63AK
Created by admin on Sat Dec 16 07:38:20 GMT 2023 , Edited by admin on Sat Dec 16 07:38:20 GMT 2023
PRIMARY
CAS
111664-35-8
Created by admin on Sat Dec 16 07:38:20 GMT 2023 , Edited by admin on Sat Dec 16 07:38:20 GMT 2023
PRIMARY
Related Record Type Details
Structure of BISACODYL
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP
NIH
NCATS
PRIVACY ACT
ACCESSIBILITY
DISCLAIMER
HHS VULNERABILITY DISCLOSURE
For language access assistance, contact the NCATS Public Information Officer
National Center for Advancing Translational Sciences (NCATS),
6701 Democracy Boulevard, Bethesda MD 20892-4874 • 301-594-8966