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Details

Stereochemistry RACEMIC
Molecular Formula C20H21NO4.ClH
Molecular Weight 375.846
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of DICENTRINE HYDROCHLORIDE, (±)-

SMILES

Cl.COC1=CC2=C(C=C1OC)C3=C4C(C2)N(C)CCC4=CC5=C3OCO5

InChI

InChIKey=KEPNLLUUOISJKZ-UHFFFAOYSA-N
InChI=1S/C20H21NO4.ClH/c1-21-5-4-11-7-17-20(25-10-24-17)19-13-9-16(23-3)15(22-2)8-12(13)6-14(21)18(11)19;/h7-9,14H,4-6,10H2,1-3H3;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 C20H21NO4
Molecular Weight 339.385
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 09:14:38 GMT 2023
Edited
by admin
on Sat Dec 16 09:14:38 GMT 2023
Record UNII
4AK8B3X11J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
DICENTRINE HYDROCHLORIDE, (±)-
Common Name English
5H-BENZO(G)-1,3-BENZODIOXOLO(6,5,4-DE)QUINOLINE, 6,7,7A,8-TETRAHYDRO-10,11-DIMETHOXY-7-METHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
DICENTRINE DL-HYDROCHLORIDE [MI]
Common Name English
Code System Code Type Description
FDA UNII
4AK8B3X11J
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY
PUBCHEM
73425519
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY
CAS
1089689-97-3
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY
MERCK INDEX
m4321
Created by admin on Sat Dec 16 09:14:38 GMT 2023 , Edited by admin on Sat Dec 16 09:14:38 GMT 2023
PRIMARY Merck Index