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

Details

Stereochemistry ABSOLUTE
Molecular Formula C11H13F2NO
Molecular Weight 213.2238
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIREPEMAT

SMILES

CO[C@@]1(CCNC1)C2=CC=CC(F)=C2F

InChI

InChIKey=LJNFYMMXCXGFCP-LLVKDONJSA-N
InChI=1S/C11H13F2NO/c1-15-11(5-6-14-7-11)8-3-2-4-9(12)10(8)13/h2-4,14H,5-7H2,1H3/t11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C11H13F2NO
Molecular Weight 213.2238
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 Sat Dec 16 14:18:41 UTC 2023
Edited
by admin
on Sat Dec 16 14:18:41 UTC 2023
Record UNII
JS88RK5NOI
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIREPEMAT
INN  
Official Name English
pirepemat [INN]
Common Name English
IRL752
Code English
IRL-752
Code English
PYRROLIDINE, 3-(2,3-DIFLUOROPHENYL)-3-METHOXY-, (3S)-
Systematic Name English
(3S)-3-(2,3-DIFLUOROPHENYL)-3-METHOXYPYRROLIDINE
Systematic Name English
PYRROLIDINE, 3-(2,3-DIFLUOROPHENYL)-3-METHOXY-, (+)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000025611
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
INN
11320
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
FDA UNII
JS88RK5NOI
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
CAS
1227638-29-0
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
NCI_THESAURUS
C175845
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
PUBCHEM
135381565
Created by admin on Sat Dec 16 14:18:41 UTC 2023 , Edited by admin on Sat Dec 16 14:18:41 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY