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Details

Stereochemistry RACEMIC
Molecular Formula C15H21N3O.H3O4P
Molecular Weight 357.3419
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of QUINOCIDE PHOSPHORIC ACID

SMILES

OP(O)(O)=O.COC1=CC2=C(N=CC=C2)C(NCCCC(C)N)=C1

InChI

InChIKey=IRHHRTPJHMOYBL-UHFFFAOYSA-N
InChI=1S/C15H21N3O.H3O4P/c1-11(16)5-3-7-17-14-10-13(19-2)9-12-6-4-8-18-15(12)14;1-5(2,3)4/h4,6,8-11,17H,3,5,7,16H2,1-2H3;(H3,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula H3O4P
Molecular Weight 97.9952
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H21N3O
Molecular Weight 259.3467
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Application of GC-EI-MS for the identification and investigation of positional isomer in primaquine, an antimalarial drug.
2005 Sep 1
Substance Class Chemical
Created
by admin
on Sat Dec 16 10:30:38 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:38 GMT 2023
Record UNII
70B6GZ7RYZ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
QUINOCIDE PHOSPHORIC ACID
Common Name English
N-(6-METHOXYQUINOLIN-8-YL)PENTANE-1,4-DIAMINE PHOSPHORIC ACID (1:1)
Systematic Name English
WR-152149
Code English
Code System Code Type Description
FDA UNII
70B6GZ7RYZ
Created by admin on Sat Dec 16 10:30:39 GMT 2023 , Edited by admin on Sat Dec 16 10:30:39 GMT 2023
PRIMARY
CAS
64992-36-5
Created by admin on Sat Dec 16 10:30:39 GMT 2023 , Edited by admin on Sat Dec 16 10:30:39 GMT 2023
PRIMARY
PUBCHEM
20393405
Created by admin on Sat Dec 16 10:30:39 GMT 2023 , Edited by admin on Sat Dec 16 10:30:39 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE