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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22NO4
Molecular Weight 364.4144
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 1

SHOW SMILES / InChI
Structure of O-Methylfagaronine

SMILES

COC1=CC2=C(C=C1OC)C3=C(C4=CC(OC)=C(OC)C=C4C=C3)[N+](C)=C2

InChI

InChIKey=XBPUQLWKZKQIEP-UHFFFAOYSA-N
InChI=1S/C22H22NO4/c1-23-12-14-9-19(25-3)20(26-4)10-16(14)15-7-6-13-8-18(24-2)21(27-5)11-17(13)22(15)23/h6-12H,1-5H3/q+1

HIDE SMILES / InChI

Molecular Formula C22H22NO4
Molecular Weight 364.4144
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 Wed Apr 02 19:34:04 GMT 2025
Edited
by admin
on Wed Apr 02 19:34:04 GMT 2025
Record UNII
ZC8A99XGG4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-Methylfagaronine
Common Name English
2,3,8,9-Tetramethoxy-5-methylbenzo[c]phenanthridinium
Preferred Name English
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Systematic Name English
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-
Systematic Name English
Code System Code Type Description
PUBCHEM
39898
Created by admin on Wed Apr 02 19:34:04 GMT 2025 , Edited by admin on Wed Apr 02 19:34:04 GMT 2025
PRIMARY
FDA UNII
ZC8A99XGG4
Created by admin on Wed Apr 02 19:34:04 GMT 2025 , Edited by admin on Wed Apr 02 19:34:04 GMT 2025
PRIMARY
CAS
51116-32-6
Created by admin on Wed Apr 02 19:34:04 GMT 2025 , Edited by admin on Wed Apr 02 19:34:04 GMT 2025
PRIMARY
Related Record Type Details
IONIC MOIETY
SALT/SOLVATE -> PARENT
SALT/SOLVATE -> PARENT