PIPERAQUINE PHOSPHATE (1:1)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C29H32Cl2N6.H3O4P
Molecular Weight	633.506
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of PIPERAQUINE PHOSPHATE (1:1)

Structure Search

SMILES

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

InChI

InChIKey=KATNPMSTHHZOTK-UHFFFAOYSA-N

InChI=1S/C29H32Cl2N6.H3O4P/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;1-5(2,3)4/h2-9,20-21H,1,10-19H2;(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 15:15:07 UTC 2023` Edited by `admin` on `Sat Dec 16 15:15:07 UTC 2023`
Record UNII	5A17BAT3GK
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PIPERAQUINE PHOSPHATE (1:1)

Common Name

English

QUINOLINE, 4,4'-(1,3-PROPANEDIYLDI-4,1-PIPERAZINEDIYL)BIS(7-CHLORO-, PHOSPHATE (1:1)

Systematic Name

English

Code System Code Type Description

CAS

85547-56-4