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Details

Stereochemistry ACHIRAL
Molecular Formula C21H20NO4.I
Molecular Weight 477.2923
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 13-Methylberberine iodide

SMILES

[I-].COC1=C(OC)C2=C(C=C1)C(C)=C3C4=CC5=C(OCO5)C=C4CC[N+]3=C2

InChI

InChIKey=LLZZEUOGUZFLBN-UHFFFAOYSA-M
InChI=1S/C21H20NO4.HI/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;1H/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula C21H20NO4
Molecular Weight 350.3878
Charge 1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula I
Molecular Weight 126.90447
Charge -1
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 Tue Apr 01 19:59:13 GMT 2025
Edited
by admin
on Tue Apr 01 19:59:13 GMT 2025
Record UNII
B5U3GL6J8B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-331266
Preferred Name English
13-Methylberberine iodide
Common Name English
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-, iodide (1:1)
Systematic Name English
13-Methylberberinium iodide
Common Name English
Berberine, 13-methyl-, iodide
Common Name English
5,6-Dihydro-9,10-dimethoxy-13-methylbenzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium iodide
Systematic Name English
Benzo[g]-1,3-benzodioxolo[5,6-a]quinolizinium, 5,6-dihydro-9,10-dimethoxy-13-methyl-, iodide
Systematic Name English
Code System Code Type Description
NSC
331266
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
FDA UNII
B5U3GL6J8B
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
EPA CompTox
DTXSID40944853
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
PUBCHEM
3083755
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
CAS
2220-12-4
Created by admin on Tue Apr 01 19:59:13 GMT 2025 , Edited by admin on Tue Apr 01 19:59:13 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE