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

Details

Stereochemistry ABSOLUTE
Molecular Formula C23H26N4O3
Molecular Weight 406.4775
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Icalcaprant

SMILES

COC1=NN(C)C=C1[C@@H]2CCCN2CC3=CC=C(OC4=CC=C(C=C4)C(N)=O)C=C3

InChI

InChIKey=OBDLEFCGVHQDFR-NRFANRHFSA-N
InChI=1S/C23H26N4O3/c1-26-15-20(23(25-26)29-2)21-4-3-13-27(21)14-16-5-9-18(10-6-16)30-19-11-7-17(8-12-19)22(24)28/h5-12,15,21H,3-4,13-14H2,1-2H3,(H2,24,28)/t21-/m0/s1

HIDE SMILES / InChI

Molecular Formula C23H26N4O3
Molecular Weight 406.4775
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 18:48:03 UTC 2023
Edited
by admin
on Sat Dec 16 18:48:03 UTC 2023
Record UNII
GNR4JZG668
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Icalcaprant
INN  
Official Name English
Icalcaprant [INN]
Common Name English
BENZAMIDE, 4-(4-(((2S)-2-(3-METHOXY-1-METHYL-1H-PYRAZOL-4-YL)-1-PYRROLIDINYL)METHYL)PHENOXY)-
Systematic Name English
4-(4-{[(2S)-2-(3-methoxy-1-methyl-1H-pyrazol-4-yl)pyrrolidin-1-yl]methyl}phenoxy)benzamide
Systematic Name English
Code System Code Type Description
INN
12712
Created by admin on Sat Dec 16 18:48:03 UTC 2023 , Edited by admin on Sat Dec 16 18:48:03 UTC 2023
PRIMARY
PUBCHEM
134540598
Created by admin on Sat Dec 16 18:48:03 UTC 2023 , Edited by admin on Sat Dec 16 18:48:03 UTC 2023
PRIMARY
CAS
2227384-17-8
Created by admin on Sat Dec 16 18:48:03 UTC 2023 , Edited by admin on Sat Dec 16 18:48:03 UTC 2023
PRIMARY
FDA UNII
GNR4JZG668
Created by admin on Sat Dec 16 18:48:03 UTC 2023 , Edited by admin on Sat Dec 16 18:48:03 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
Related Record Type Details
ACTIVE MOIETY