U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C29H32Cl2N6.4H3O4P
Molecular Weight 927.491
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of PIPERAQUINE PHOSPHATE (1:4) ANHYDROUS

SMILES

OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.OP(O)(O)=O.ClC1=CC=C2C(=C1)N=CC=C2N3CCN(CCCN4CCN(CC4)C5=C6C=CC(Cl)=CC6=NC=C5)CC3

InChI

InChIKey=OAKKJVUSSVZQRF-UHFFFAOYSA-N
InChI=1S/C29H32Cl2N6.4H3O4P/c30-22-2-4-24-26(20-22)32-8-6-28(24)36-16-12-34(13-17-36)10-1-11-35-14-18-37(19-15-35)29-7-9-33-27-21-23(31)3-5-25(27)29;4*1-5(2,3)4/h2-9,20-21H,1,10-19H2;4*(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 C29H32Cl2N6
Molecular Weight 535.511
Charge 0
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 05:26:04 UTC 2023
Edited
by admin
on Sat Dec 16 05:26:04 UTC 2023
Record UNII
IHB5WLO51Q
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
PIPERAQUINE PHOSPHATE (1:4) ANHYDROUS
Common Name English
PIPERAQUINE TETRAPHOSPHATE
Common Name English
QUINOLINE, 4,4'-(1,3-PROPANEDIYLDI-4,1-PIPERAZINEDIYL)BIS(7-CHLORO-, PHOSPHATE (1:4))
Common Name English
QUINOLINE, 4,4'-(1,3-PROPANEDIYLDI-4,1-PIPERAZINEDIYL)BIS(7-CHLORO-, PHOSPHATE (1:4)
Common Name English
Classification Tree Code System Code
EMA ASSESSMENT REPORTS EURARTESIM (AUTHORIZED: MALARIA)
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
Code System Code Type Description
PUBCHEM
53318025
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
FDA UNII
IHB5WLO51Q
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
CAS
911061-10-4
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
ChEMBL
CHEMBL303933
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
DRUG BANK
DBSALT002601
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
EVMPD
SUB33012
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
SMS_ID
100000126270
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
EPA CompTox
DTXSID90919955
Created by admin on Sat Dec 16 05:26:04 UTC 2023 , Edited by admin on Sat Dec 16 05:26:04 UTC 2023
PRIMARY
Related Record Type Details
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY