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Details

Stereochemistry ACHIRAL
Molecular Formula C45H43Cl2N5
Molecular Weight 724.762
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 11,11'-(3,5-PYRIDINEDIYLBIS(METHYLENE-1,4-PIPERIDINEDIYL))BIS(8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE)

SMILES

ClC1=CC=C2C(CCC3=CC=CN=C3C2=C4CCN(CC5=CC(CN6CCC(CC6)=C7C8=CC=C(Cl)C=C8CCC9=CC=CN=C79)=CN=C5)CC4)=C1

InChI

InChIKey=QMAUPLJMOVSLAU-UHFFFAOYSA-N
InChI=1S/C45H43Cl2N5/c46-38-9-11-40-36(24-38)7-5-34-3-1-17-49-44(34)42(40)32-13-19-51(20-14-32)28-30-23-31(27-48-26-30)29-52-21-15-33(16-22-52)43-41-12-10-39(47)25-37(41)8-6-35-4-2-18-50-45(35)43/h1-4,9-12,17-18,23-27H,5-8,13-16,19-22,28-29H2

HIDE SMILES / InChI

Molecular Formula C45H43Cl2N5
Molecular Weight 724.762
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 Wed Apr 02 00:19:35 GMT 2025
Edited
by admin
on Wed Apr 02 00:19:35 GMT 2025
Record UNII
XVV2J8NLL9
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUPATADINE FUMARATE IMPURITY C [EP IMPURITY]
Preferred Name English
11,11'-(3,5-PYRIDINEDIYLBIS(METHYLENE-1,4-PIPERIDINEDIYL))BIS(8-CHLORO-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE)
Systematic Name English
5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE, 11,11'-(3,5-PYRIDINEDIYLBIS(METHYLENE-1,4-PIPERIDINEDIYL))BIS(8-CHLORO-6,11-DIHYDRO-
Systematic Name English
8-CHLORO-11-(PIPERIDIN-4-YLIDENE)-6,11-DIHYDRO-5H-BENZO(5,6)CYCLOHEPTA(1,2-B)PYRIDINE
Systematic Name English
Code System Code Type Description
FDA UNII
XVV2J8NLL9
Created by admin on Wed Apr 02 00:19:35 GMT 2025 , Edited by admin on Wed Apr 02 00:19:35 GMT 2025
PRIMARY
CAS
1224515-72-3
Created by admin on Wed Apr 02 00:19:35 GMT 2025 , Edited by admin on Wed Apr 02 00:19:35 GMT 2025
PRIMARY
PUBCHEM
71315697
Created by admin on Wed Apr 02 00:19:35 GMT 2025 , Edited by admin on Wed Apr 02 00:19:35 GMT 2025
PRIMARY
EPA CompTox
DTXSID60747540
Created by admin on Wed Apr 02 00:19:35 GMT 2025 , Edited by admin on Wed Apr 02 00:19:35 GMT 2025
PRIMARY
Related Record Type Details
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CHROMATOGRAPHIC PURITY (HPLC/UV)
EP