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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20NO4
Molecular Weight 350.3878
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of 13-Methylberberine

SMILES

COC1=CC=C2C(C)=C3C4=CC5=C(OCO5)C=C4CC[N+]3=CC2=C1OC

InChI

InChIKey=SMERZMDSMLIVHC-UHFFFAOYSA-N
InChI=1S/C21H20NO4/c1-12-14-4-5-17(23-2)21(24-3)16(14)10-22-7-6-13-8-18-19(26-11-25-18)9-15(13)20(12)22/h4-5,8-10H,6-7,11H2,1-3H3/q+1

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
13-Methylberberine
Common Name English
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-
Systematic Name English
13-Methyl-thylberberine
Common Name English
Dehydrothalictricavine
Common Name English
5,6-Dihydro-9,10-dimethoxy-13-methylbenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium
Systematic Name English
Code System Code Type Description
PUBCHEM
148262
Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023
PRIMARY
FDA UNII
DAS3GQ3TEY
Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023
PRIMARY
CAS
38691-92-8
Created by admin on Sat Dec 16 19:36:34 GMT 2023 , Edited by admin on Sat Dec 16 19:36:34 GMT 2023
PRIMARY
SALT/SOLVATE (PARENT)
Structure of 13-Methylberberine chloride
SALT/SOLVATE (PARENT)
Structure of 13-Methylberberine iodide
SUBSTANCE RECORD
Structure of 13-Methylberberine
NIH
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