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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22NO4.CH3O4S
Molecular Weight 475.512
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of O-Methylfagaronine methosulfate

SMILES

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

InChI

InChIKey=STFXOYYCVIFLIF-UHFFFAOYSA-M
InChI=1S/C22H22NO4.CH4O4S/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;1-5-6(2,3)4/h6-12H,1-5H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Approval Year

Name Type Language
NSC-166720
Preferred Name English
O-Methylfagaronine methosulfate
Common Name English
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfate (1:1)
Systematic Name English
Benzo[c]phenanthridinium, 2,3,8,9-tetramethoxy-5-methyl-, methyl sulfate
Systematic Name English
Methyl sulfate; 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Systematic Name English
Code System Code Type Description
NSC
166720
Created by admin on Mon Mar 31 18:51:11 GMT 2025 , Edited by admin on Mon Mar 31 18:51:11 GMT 2025
PRIMARY
EPA CompTox
DTXSID90199134
Created by admin on Mon Mar 31 18:51:11 GMT 2025 , Edited by admin on Mon Mar 31 18:51:11 GMT 2025
PRIMARY
FDA UNII
A7KZW8TML4
Created by admin on Mon Mar 31 18:51:11 GMT 2025 , Edited by admin on Mon Mar 31 18:51:11 GMT 2025
PRIMARY
PUBCHEM
39897
Created by admin on Mon Mar 31 18:51:11 GMT 2025 , Edited by admin on Mon Mar 31 18:51:11 GMT 2025
PRIMARY
CAS
51116-33-7
Created by admin on Mon Mar 31 18:51:11 GMT 2025 , Edited by admin on Mon Mar 31 18:51:11 GMT 2025
PRIMARY