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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H23FN2O3
Molecular Weight 358.4066
Optical Activity UNSPECIFIED
Additional Stereochemistry Yes
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0
Stereo Comments RING CONSTITUENTS CIS

SHOW SMILES / InChI
Structure of Onfasprodil

SMILES

[H][C@@]12C[C@H](C[C@]1([H])CN(C[C@H](O)C3=CC=C(O)C=N3)C2)OC4=CC=CC=C4F

InChI

InChIKey=NEFQLCKWVRZEJA-ZDXGLAPJSA-N
InChI=1S/C20H23FN2O3/c21-17-3-1-2-4-20(17)26-16-7-13-10-23(11-14(13)8-16)12-19(25)18-6-5-15(24)9-22-18/h1-6,9,13-14,16,19,24-25H,7-8,10-12H2/t13-,14+,16+,19-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H23FN2O3
Molecular Weight 358.4066
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 4 / 4
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 13:34:29 UTC 2023
Edited
by admin
on Sat Dec 16 13:34:29 UTC 2023
Record UNII
C6I8M5AWKP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Onfasprodil
INN  
Official Name English
CYCLOPENTA(C)PYRROLE-2(1H)-ETHANOL, 5-(2-FLUOROPHENOXY)HEXAHYDRO-.ALPHA.-(5-HYDROXY-2-PYRIDINYL)-, (.ALPHA.S,3A.ALPHA.,5.ALPHA.,6A.ALPHA.)-
Systematic Name English
(.ALPHA.S,3A.ALPHA.,5.ALPHA.,6A.ALPHA.)-5-(2-FLUOROPHENOXY)HEXAHYDRO-.ALPHA.-(5-HYDROXY-2-PYRIDINYL)CYCLOPENTA(C)PYRROLE-2(1H)-ETHANOL
Systematic Name English
MIJ821
Code English
ONFASPRODIL [USAN]
Common Name English
onfasprodil [INN]
Common Name English
MIJ-821
Code English
CAD-9271
Code English
Code System Code Type Description
USAN
LM-178
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
NCI_THESAURUS
C188558
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
INN
12036
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
CAS
1892588-62-3
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
NON-SPECIFIC STEREOCHEMISTRY
FDA UNII
C6I8M5AWKP
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
SMS_ID
300000037263
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
CAS
1892581-29-1
Created by admin on Sat Dec 16 13:34:29 UTC 2023 , Edited by admin on Sat Dec 16 13:34:29 UTC 2023
PRIMARY
Related Record Type Details
TARGET->NEGATIVE ALLOSTERIC MODULATOR (NAM)
ALLOSTERIC INHIBITOR
IC50
Related Record Type Details
ACTIVE MOIETY