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

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=CC2=C(C=C1)C(=C3CCN(CC4=CC(CN5CCC(CC5)=C6C7=C(CCC8=C6N=CC=C8)C=C(Cl)C=C7)=CN=C4)CC3)C9=C(CC2)C=CC=N9

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

Approval Year

Name Type Language
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
RUPATADINE FUMARATE IMPURITY C [EP IMPURITY]
Common 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 Sat Dec 16 14:35:58 GMT 2023 , Edited by admin on Sat Dec 16 14:35:58 GMT 2023
PRIMARY
CAS
1224515-72-3
Created by admin on Sat Dec 16 14:35:58 GMT 2023 , Edited by admin on Sat Dec 16 14:35:58 GMT 2023
PRIMARY
PUBCHEM
71315697
Created by admin on Sat Dec 16 14:35:58 GMT 2023 , Edited by admin on Sat Dec 16 14:35:58 GMT 2023
PRIMARY
EPA CompTox
DTXSID60747540
Created by admin on Sat Dec 16 14:35:58 GMT 2023 , Edited by admin on Sat Dec 16 14:35:58 GMT 2023
PRIMARY