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Details

Stereochemistry RACEMIC
Molecular Formula C18H19NO3.ClH
Molecular Weight 333.809
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of BMDB (hydrochloride)

SMILES

Cl.CCC(NCC1=CC=CC=C1)C(=O)C2=CC=C3OCOC3=C2

InChI

InChIKey=KLEXPEUAMMQTEW-UHFFFAOYSA-N
InChI=1S/C18H19NO3.ClH/c1-2-15(19-11-13-6-4-3-5-7-13)18(20)14-8-9-16-17(10-14)22-12-21-16;/h3-10,15,19H,2,11-12H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C18H19NO3
Molecular Weight 297.3484
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 18:35:17 GMT 2023
Edited
by admin
on Sat Dec 16 18:35:17 GMT 2023
Record UNII
V9KJ4N9PLH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BMDB (hydrochloride)
Common Name English
1-BUTANONE, 1-(1,3-BENZODIOXOL-5-YL)-2-((PHENYLMETHYL)AMINO)-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
V9KJ4N9PLH
Created by admin on Sat Dec 16 18:35:17 GMT 2023 , Edited by admin on Sat Dec 16 18:35:17 GMT 2023
PRIMARY
CAS
1823865-05-9
Created by admin on Sat Dec 16 18:35:17 GMT 2023 , Edited by admin on Sat Dec 16 18:35:17 GMT 2023
PRIMARY
PUBCHEM
129318258
Created by admin on Sat Dec 16 18:35:17 GMT 2023 , Edited by admin on Sat Dec 16 18:35:17 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE