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

Details

Stereochemistry ACHIRAL
Molecular Formula C21H23NO3
Molecular Weight 337.4122
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of OLOPATADINE, (E)-

SMILES

CN(C)CC\C=C1/C2=CC=CC=C2COC3=CC=C(CC(O)=O)C=C13

InChI

InChIKey=JBIMVDZLSHOPLA-QGMBQPNBSA-N
InChI=1S/C21H23NO3/c1-22(2)11-5-8-18-17-7-4-3-6-16(17)14-25-20-10-9-15(12-19(18)20)13-21(23)24/h3-4,6-10,12H,5,11,13-14H2,1-2H3,(H,23,24)/b18-8+

HIDE SMILES / InChI

Molecular Formula C21H23NO3
Molecular Weight 337.4122
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:03:03 UTC 2023
Edited
by admin
on Sat Dec 16 10:03:03 UTC 2023
Record UNII
KU3MJP076O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
OLOPATADINE, (E)-
Common Name English
OLOPATADINE HYDROCHLORIDE IMPURITY, OLOPATADINE E-ISOMER- [USP IMPURITY]
Common Name English
DIBENZ(B,E)OXEPIN-2-ACETIC ACID, 11-(3-(DIMETHYLAMINO)PROPYLIDENE)-6,11-DIHYDRO-, (11E)-
Systematic Name English
OLOPATADINE E-ISOMER
Common Name English
11-((E)-3-(DIMETHYLAMINO)PROPYLIDENE)-6,11-DIHYDRODIBENZ(B,E)OXEPIN-2-ACETIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
KU3MJP076O
Created by admin on Sat Dec 16 10:03:04 UTC 2023 , Edited by admin on Sat Dec 16 10:03:04 UTC 2023
PRIMARY
PUBCHEM
5284599
Created by admin on Sat Dec 16 10:03:04 UTC 2023 , Edited by admin on Sat Dec 16 10:03:04 UTC 2023
PRIMARY
CAS
113806-06-7
Created by admin on Sat Dec 16 10:03:04 UTC 2023 , Edited by admin on Sat Dec 16 10:03:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID20150556
Created by admin on Sat Dec 16 10:03:04 UTC 2023 , Edited by admin on Sat Dec 16 10:03:04 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP