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Details

Stereochemistry ACHIRAL
Molecular Formula C26H26ClN3
Molecular Weight 415.958
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RUPATADINE

SMILES

CC1=CN=CC(CN2CCC(CC2)=C3C4=C(CCC5=C3N=CC=C5)C=C(Cl)C=C4)=C1

InChI

InChIKey=WUZYKBABMWJHDL-UHFFFAOYSA-N
InChI=1S/C26H26ClN3/c1-18-13-19(16-28-15-18)17-30-11-8-20(9-12-30)25-24-7-6-23(27)14-22(24)5-4-21-3-2-10-29-26(21)25/h2-3,6-7,10,13-16H,4-5,8-9,11-12,17H2,1H3

HIDE SMILES / InChI

Molecular Formula C26H26ClN3
Molecular Weight 415.958
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 Fri Dec 15 16:11:15 UTC 2023
Edited
by admin
on Fri Dec 15 16:11:15 UTC 2023
Record UNII
2AE8M83G3E
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RUPATADINE
INN   MART.   MI   WHO-DD  
INN  
Official Name English
RUPATADINE [MART.]
Common Name English
rupatadine [INN]
Common Name English
UR-12592
Code English
RUPATADINE [MI]
Common Name English
Rupatadine [WHO-DD]
Common Name English
Classification Tree Code System Code
WHO-ATC R06AX28
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
WHO-VATC QR06AX28
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
NCI_THESAURUS C29578
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
Code System Code Type Description
WIKIPEDIA
RUPATADINE
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
INN
7443
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
EPA CompTox
DTXSID00166534
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
ChEMBL
CHEMBL91397
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
DRUG BANK
DB11614
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
EVMPD
SUB10406MIG
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
NCI_THESAURUS
C73055
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
FDA UNII
2AE8M83G3E
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
PUBCHEM
133017
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
MESH
C103639
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
CAS
158876-82-5
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
SMS_ID
100000084369
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
DRUG CENTRAL
2413
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY
MERCK INDEX
m9700
Created by admin on Fri Dec 15 16:11:15 UTC 2023 , Edited by admin on Fri Dec 15 16:11:15 UTC 2023
PRIMARY Merck Index
Related Record Type Details
SALT/SOLVATE -> PARENT
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY