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

Details

Stereochemistry ACHIRAL
Molecular Formula C26H24N2O3.C7H6O2
Molecular Weight 534.6017
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of JNJ-27390467

SMILES

OC(=O)C1=CC=CC=C1.NCC2=CC=C3OCC4(CCN(CC4)C(=O)C5=CC=C(O5)C#CC6=CC=CC=C6)C3=C2

InChI

InChIKey=BOSSCQOUHQQZCJ-UHFFFAOYSA-N
InChI=1S/C26H24N2O3.C7H6O2/c27-17-20-7-10-23-22(16-20)26(18-30-23)12-14-28(15-13-26)25(29)24-11-9-21(31-24)8-6-19-4-2-1-3-5-19;8-7(9)6-4-2-1-3-5-6/h1-5,7,9-11,16H,12-15,17-18,27H2;1-5H,(H,8,9)

HIDE SMILES / InChI

Molecular Formula C26H24N2O3
Molecular Weight 412.4804
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C7H6O2
Molecular Weight 122.1213
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:07:22 GMT 2023
Edited
by admin
on Sat Dec 16 10:07:22 GMT 2023
Record UNII
V2C105I99F
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
JNJ-27390467
Common Name English
METHANONE, (5-(AMINOMETHYL)SPIRO(BENZOFURAN-3(2H),4'-PIPERIDIN)-1'-YL)(5-(2-PHENYLETHYNYL)-2-FURANYL)-, BENZOATE (1:1)
Systematic Name English
Code System Code Type Description
DRUG BANK
DB06962
Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023
PRIMARY
FDA UNII
V2C105I99F
Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023
PRIMARY
CAS
1025795-12-3
Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023
PRIMARY
PUBCHEM
44453028
Created by admin on Sat Dec 16 10:07:22 GMT 2023 , Edited by admin on Sat Dec 16 10:07:22 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY