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

Details

Stereochemistry RACEMIC
Molecular Formula C20H17NO3
Molecular Weight 319.3539
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MONOACETYL BISACODYL

SMILES

CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(O)C=C2)C3=CC=CC=N3

InChI

InChIKey=IGNJZSFTZVUILA-UHFFFAOYSA-N
InChI=1S/C20H17NO3/c1-14(22)24-18-11-7-16(8-12-18)20(19-4-2-3-13-21-19)15-5-9-17(23)10-6-15/h2-13,20,23H,1H3

HIDE SMILES / InChI

Molecular Formula C20H17NO3
Molecular Weight 319.3539
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 Fri Dec 15 15:48:21 UTC 2023
Edited
by admin
on Fri Dec 15 15:48:21 UTC 2023
Record UNII
K64Y0Z4A16
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MONOACETYL BISACODYL
Common Name English
BISACODYL RELATED COMPOUND C [USP-RS]
Common Name English
MONOACETYLBISACODYL
Common Name English
PHENOL, 4-((4-(ACETYLOXY)PHENYL)-2-PYRIDINYLMETHYL)-
Systematic Name English
BISACODYL IMPURITY C [EP IMPURITY]
Common Name English
BISACODYL RELATED COMPOUND C [USP IMPURITY]
Common Name English
BISACODYL RELATED COMPOUND C
USP   USP-RS  
Common Name English
(±)-MONOACETYL BISACODYL
Common Name English
Code System Code Type Description
FDA UNII
K64Y0Z4A16
Created by admin on Fri Dec 15 15:48:21 UTC 2023 , Edited by admin on Fri Dec 15 15:48:21 UTC 2023
PRIMARY
PUBCHEM
13476758
Created by admin on Fri Dec 15 15:48:21 UTC 2023 , Edited by admin on Fri Dec 15 15:48:21 UTC 2023
PRIMARY
EPA CompTox
DTXSID501024525
Created by admin on Fri Dec 15 15:48:21 UTC 2023 , Edited by admin on Fri Dec 15 15:48:21 UTC 2023
PRIMARY
CAS
72901-16-7
Created by admin on Fri Dec 15 15:48:21 UTC 2023 , Edited by admin on Fri Dec 15 15:48:21 UTC 2023
PRIMARY
RS_ITEM_NUM
1074051
Created by admin on Fri Dec 15 15:48:21 UTC 2023 , Edited by admin on Fri Dec 15 15:48:21 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
EP