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

Details

Stereochemistry ACHIRAL
Molecular Formula C20H21F3N4O
Molecular Weight 390.4021
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Emraclidine

SMILES

CC1=NC2=C(CN(C2)C(=O)CC3CN(C3)C4=CC=NC(=C4)C(F)(F)F)C(C)=C1

InChI

InChIKey=DTCZNKWBDTXEBS-UHFFFAOYSA-N
InChI=1S/C20H21F3N4O/c1-12-5-13(2)25-17-11-27(10-16(12)17)19(28)6-14-8-26(9-14)15-3-4-24-18(7-15)20(21,22)23/h3-5,7,14H,6,8-11H2,1-2H3

HIDE SMILES / InChI

Approval Year

Name Type Language
Emraclidine
INN   USAN  
Official Name English
EMRACLIDINE [USAN]
Common Name English
CVL-231
Code English
Ethanone, 1-(5,7-dihydro-2,4-dimethyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl]-
Systematic Name English
emraclidine [INN]
Common Name English
PF-06852231
Code English
1-(5,7-Dihydro-2,4-dimethyl-6H-pyrrolo[3,4-b]pyridin-6-yl)-2-[1-[2-(trifluoromethyl)-4-pyridinyl]-3-azetidinyl]ethanone
Systematic Name English
Code System Code Type Description
NCI_THESAURUS
C184922
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
CAS
2170722-84-4
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
USAN
KL-186
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
SMS_ID
300000039088
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
FDA UNII
J241Y80EEO
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
INN
11752
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY
PUBCHEM
140830653
Created by admin on Sat Dec 16 14:25:15 GMT 2023 , Edited by admin on Sat Dec 16 14:25:15 GMT 2023
PRIMARY