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Details

Stereochemistry RACEMIC
Molecular Formula C21H24N2O2
Molecular Weight 336.4275
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DA-8031

SMILES

COC1=CC=C(C=C1)C2(CCCN(C)C)OCC3=CC(=CC=C23)C#N

InChI

InChIKey=RCMIUWUYNFSCAE-UHFFFAOYSA-N
InChI=1S/C21H24N2O2/c1-23(2)12-4-11-21(18-6-8-19(24-3)9-7-18)20-10-5-16(14-22)13-17(20)15-25-21/h5-10,13H,4,11-12,15H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C21H24N2O2
Molecular Weight 336.4275
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:23:55 UTC 2023
Edited
by admin
on Sat Dec 16 18:23:55 UTC 2023
Record UNII
VN9EXL272Y
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DA-8031
Code English
5-ISOBENZOFURANCARBONITRILE, 1-(3-(DIMETHYLAMINO)PROPYL)-1,3-DIHYDRO-1-(4-METHOXYPHENYL)-
Systematic Name English
1-(3-(DIMETHYLAMINO)PROPYL)-1,3-DIHYDRO-1-(4-METHOXYPHENYL)-5-ISOBENZOFURANCARBONITRILE
Systematic Name English
1-(3-(DIMETHYLAMINO)PROPYL)-1-(4-METHOXYPHENYL)-1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE
Systematic Name English
Code System Code Type Description
FDA UNII
VN9EXL272Y
Created by admin on Sat Dec 16 18:23:55 UTC 2023 , Edited by admin on Sat Dec 16 18:23:55 UTC 2023
PRIMARY
CAS
1148027-74-0
Created by admin on Sat Dec 16 18:23:55 UTC 2023 , Edited by admin on Sat Dec 16 18:23:55 UTC 2023
PRIMARY
PUBCHEM
42606390
Created by admin on Sat Dec 16 18:23:55 UTC 2023 , Edited by admin on Sat Dec 16 18:23:55 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
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METABOLITE -> PARENT
MAJOR
METABOLITE -> PARENT
MAJOR