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

Details

Stereochemistry ACHIRAL
Molecular Formula C19H19BrN2
Molecular Weight 355.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 8-BROMO-DESLORATADINE

SMILES

BrC1=CC2=C(C=C1)C(=C3CCNCC3)C4=C(CC2)C=CC=N4

InChI

InChIKey=VUXYWIBSPSRHON-UHFFFAOYSA-N
InChI=1S/C19H19BrN2/c20-16-5-6-17-15(12-16)4-3-14-2-1-9-22-19(14)18(17)13-7-10-21-11-8-13/h1-2,5-6,9,12,21H,3-4,7-8,10-11H2

HIDE SMILES / InChI

Molecular Formula C19H19BrN2
Molecular Weight 355.272
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:06:10 UTC 2023
Edited
by admin
on Sat Dec 16 11:06:10 UTC 2023
Record UNII
5UI3SF4P3N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
8-BROMO-DESLORATADINE
Common Name English
5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 8-BROMO-6,11-DIHYDRO-11-(4-PIPERIDINYLIDENE)-
Systematic Name English
DESLORATADINE RELATED COMPOUND A [USP-RS]
Common Name English
8-BROMO-6,11-DIHYDRO-11-(PIPERIDIN-4-YLIDENE)-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE
Systematic Name English
DESLORATADINE RELATED COMPOUND A
Common Name English
Code System Code Type Description
PUBCHEM
14885609
Created by admin on Sat Dec 16 11:06:10 UTC 2023 , Edited by admin on Sat Dec 16 11:06:10 UTC 2023
PRIMARY
FDA UNII
5UI3SF4P3N
Created by admin on Sat Dec 16 11:06:10 UTC 2023 , Edited by admin on Sat Dec 16 11:06:10 UTC 2023
PRIMARY
RS_ITEM_NUM
1173053
Created by admin on Sat Dec 16 11:06:10 UTC 2023 , Edited by admin on Sat Dec 16 11:06:10 UTC 2023
PRIMARY
CAS
117796-50-6
Created by admin on Sat Dec 16 11:06:10 UTC 2023 , Edited by admin on Sat Dec 16 11:06:10 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> IMPURITY
CHROMATOGRAPHIC PURITY (HPLC/UV)
USP