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

Details

Stereochemistry RACEMIC
Molecular Formula C22H19NO4
Molecular Weight 361.3914
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)Oc1ccc(cc1)C(c2ccccc2OC(=O)C)c3ccccn3

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 361.3914
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 Jun 26 16:30:26 UTC 2021
Edited
by admin
on Sat Jun 26 16:30:26 UTC 2021
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]
Common Name English
BISACODYL RELATED COMPOUND E
USP   USP-RS  
Common Name English
PHENOL, 2-((4-(ACETYLOXY)PHENYL)-2-PYRIDINYLMETHYL)-, 1-ACETATE
Common Name English
BISACODYL IMPURITY E [EP]
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-RS]
Common Name English
2,4'BISACODYL ANALOG
Common Name English
Code System Code Type Description
PUBCHEM
71587416
Created by admin on Sat Jun 26 16:30:26 UTC 2021 , Edited by admin on Sat Jun 26 16:30:26 UTC 2021
PRIMARY
FDA UNII
276EMM63AK
Created by admin on Sat Jun 26 16:30:26 UTC 2021 , Edited by admin on Sat Jun 26 16:30:26 UTC 2021
PRIMARY
CAS
111664-35-8
Created by admin on Sat Jun 26 16:30:26 UTC 2021 , Edited by admin on Sat Jun 26 16:30:26 UTC 2021
PRIMARY
USP_CATALOG
1074073
Created by admin on Sat Jun 26 16:30:26 UTC 2021 , Edited by admin on Sat Jun 26 16:30:26 UTC 2021
PRIMARY USP-RS
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP