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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22NO4.I
Molecular Weight 491.3189
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-Methylfagaronine iodide

SMILES

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

InChI

InChIKey=SRUJPIPZJXTFTI-UHFFFAOYSA-M
InChI=1S/C22H22NO4.HI/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;1H/q+1;/p-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

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 Wed Apr 02 19:33:37 GMT 2025
Edited
by admin
on Wed Apr 02 19:33:37 GMT 2025
Record UNII
T6J8Q26XYJ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
O-Methylfagaronine iodide
Common Name English
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium,iodide
Preferred Name English
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, iodide
Systematic Name English
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, iodide (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
T6J8Q26XYJ
Created by admin on Wed Apr 02 19:33:37 GMT 2025 , Edited by admin on Wed Apr 02 19:33:37 GMT 2025
PRIMARY
PUBCHEM
3077978
Created by admin on Wed Apr 02 19:33:37 GMT 2025 , Edited by admin on Wed Apr 02 19:33:37 GMT 2025
PRIMARY
CAS
136540-26-6
Created by admin on Wed Apr 02 19:33:37 GMT 2025 , Edited by admin on Wed Apr 02 19:33:37 GMT 2025
PRIMARY
EPA CompTox
DTXSID40929463
Created by admin on Wed Apr 02 19:33:37 GMT 2025 , Edited by admin on Wed Apr 02 19:33:37 GMT 2025
PRIMARY
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