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Details

Stereochemistry ABSOLUTE
Molecular Formula C34H29ClN6O3
Molecular Weight 605.085
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MODIPAFANT

SMILES

CCOC(=O)C1=C(NC(C)=C([C@H]1C2=CC=CC=C2Cl)C(=O)NC3=NC=CC=C3)C4=CC=C(C=C4)N5C(C)=NC6=C5C=CN=C6

InChI

InChIKey=ODRYSCQFUGFOSU-SSEXGKCCSA-N
InChI=1S/C34H29ClN6O3/c1-4-44-34(43)31-30(24-9-5-6-10-25(24)35)29(33(42)40-28-11-7-8-17-37-28)20(2)38-32(31)22-12-14-23(15-13-22)41-21(3)39-26-19-36-18-16-27(26)41/h5-19,30,38H,4H2,1-3H3,(H,37,40,42)/t30-/m1/s1

HIDE SMILES / InChI

Molecular Formula C34H29ClN6O3
Molecular Weight 605.085
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 16:02:54 UTC 2023
Edited
by admin
on Fri Dec 15 16:02:54 UTC 2023
Record UNII
1DMI0E5023
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
MODIPAFANT
INN  
INN  
Official Name English
ETHYL (+)-(R)-4-(O-CHLOROPHENYL)-1,4-DIHYDRO-6-METHYL-2-(P-(2-METHYL-1H-IMIDAZO(4,5-C)PYRIDIN-1-YL)PHENYL)-5-(2-PYRIDYLCARBAMOYL)NICOTINATE
Common Name English
UK-80067
Code English
modipafant [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C1327
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
Code System Code Type Description
MESH
C073027
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
FDA UNII
1DMI0E5023
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
EPA CompTox
DTXSID30153811
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
EVMPD
SUB09029MIG
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
INN
6828
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
SMS_ID
100000080350
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
ChEMBL
CHEMBL2105829
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
CAS
122957-06-6
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
NCI_THESAURUS
C90752
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
PUBCHEM
3047770
Created by admin on Fri Dec 15 16:02:54 UTC 2023 , Edited by admin on Fri Dec 15 16:02:54 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
RACEMATE -> ENANTIOMER
Related Record Type Details
ACTIVE MOIETY