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Details

Stereochemistry ACHIRAL
Molecular Formula C22H22NO4.Cl
Molecular Weight 399.867
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Allocoralyne chloride

SMILES

[Cl-].COC1=CC2=CC3=C4C=C(OC)C(OC)=CC4=CC(C)=[N+]3C=C2C=C1OC

InChI

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

HIDE SMILES / InChI

Molecular Formula Cl
Molecular Weight 35.453
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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 Sat Dec 16 19:30:24 GMT 2023
Edited
by admin
on Sat Dec 16 19:30:24 GMT 2023
Record UNII
J79E5FF55M
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Allocoralyne chloride
Common Name English
2,3,10,11-tetramethoxy-7-methyl-6lambda5-azatetraphen-6-ylium chloride
Systematic Name English
Dibenzo[a,g]quinolizinium, 2,3,10,11-tetramethoxy-6-methyl-, chloride (1:1)
Common Name English
Dibenzo[a,g]quinolizinium, 2,3,10,11-tetramethoxy-6-methyl-, chloride
Systematic Name English
Code System Code Type Description
CAS
59276-07-2
Created by admin on Sat Dec 16 19:30:25 GMT 2023 , Edited by admin on Sat Dec 16 19:30:25 GMT 2023
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NSC
256934
Created by admin on Sat Dec 16 19:30:25 GMT 2023 , Edited by admin on Sat Dec 16 19:30:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID60207992
Created by admin on Sat Dec 16 19:30:25 GMT 2023 , Edited by admin on Sat Dec 16 19:30:25 GMT 2023
PRIMARY
PUBCHEM
21144671
Created by admin on Sat Dec 16 19:30:25 GMT 2023 , Edited by admin on Sat Dec 16 19:30:25 GMT 2023
PRIMARY
FDA UNII
J79E5FF55M
Created by admin on Sat Dec 16 19:30:25 GMT 2023 , Edited by admin on Sat Dec 16 19:30:25 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE