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Details

Stereochemistry ACHIRAL
Molecular Formula C14H19NO4P.CH3O4S
Molecular Weight 407.376
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of RO-3-0422

SMILES

COS([O-])(=O)=O.CCOP(=O)(OCC)OC1=C[N+](C)=C2C=CC=CC2=C1

InChI

InChIKey=YIGJQDOVGHXIJZ-UHFFFAOYSA-M
InChI=1S/C14H19NO4P.CH4O4S/c1-4-17-20(16,18-5-2)19-13-10-12-8-6-7-9-14(12)15(3)11-13;1-5-6(2,3)4/h6-11H,4-5H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1

HIDE SMILES / InChI

Molecular Formula CH3O4S
Molecular Weight 111.097
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C14H19NO4P
Molecular Weight 296.2787
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 18:24:25 GMT 2023
Edited
by admin
on Sat Dec 16 18:24:25 GMT 2023
Record UNII
C7KH7R89YX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
RO-3-0422
Code English
PHOSPHORIC ACID, DIETHYL ESTER, ESTER WITH 3-HYDROXY-1-METHYLQUINOLINIUM METHYL SULFATE
Systematic Name English
3-HYDROXY-1-METHYLQUINOLINIUM METHYL SULFATE, DIETHYL PHOSPHATE
Systematic Name English
3-(DIETHOXYPHOSPHORYLOXY)-N-METHYLQUINOLINIUM METHYL SULFATE
Systematic Name English
3-(DIETHYLPHOSPHATO)-N-METHYLQUINOLINIUM METHYL SULFATE
Systematic Name English
QUINOLINIUM, 3-((DIETHOXYPHOSPHINYL)OXY)-1-METHYL-, METHYL SULFATE
Systematic Name English
QUINOLINIUM, 3-HYDROXY-1-METHYL-, METHYL SULFATE, DIETHYL PHOSPHATE
Systematic Name English
Code System Code Type Description
PUBCHEM
201356
Created by admin on Sat Dec 16 18:24:25 GMT 2023 , Edited by admin on Sat Dec 16 18:24:25 GMT 2023
PRIMARY
EPA CompTox
DTXSID80206962
Created by admin on Sat Dec 16 18:24:25 GMT 2023 , Edited by admin on Sat Dec 16 18:24:25 GMT 2023
PRIMARY
FDA UNII
C7KH7R89YX
Created by admin on Sat Dec 16 18:24:25 GMT 2023 , Edited by admin on Sat Dec 16 18:24:25 GMT 2023
PRIMARY
CAS
5823-09-6
Created by admin on Sat Dec 16 18:24:25 GMT 2023 , Edited by admin on Sat Dec 16 18:24:25 GMT 2023
PRIMARY
WIKIPEDIA
Ro 3-0422
Created by admin on Sat Dec 16 18:24:25 GMT 2023 , Edited by admin on Sat Dec 16 18:24:25 GMT 2023
PRIMARY