CHLOROQUINE DIOROTATE

Details

Stereochemistry	RACEMIC
Molecular Formula	C18H26ClN3.2C5H4N2O4
Molecular Weight	632.065
Optical Activity	( + / - )
Defined Stereocenters	0 / 1
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

OC(=O)C1=CC(=O)NC(=O)N1.OC(=O)C2=CC(=O)NC(=O)N2.CCN(CC)CCCC(C)NC3=CC=NC4=CC(Cl)=CC=C34

InChI

InChIKey=IUEFAROUKVNKKL-UHFFFAOYSA-N

InChI=1S/C18H26ClN3.2C5H4N2O4/c1-4-22(5-2)12-6-7-14(3)21-17-10-11-20-18-13-15(19)8-9-16(17)18;2*8-3-1-2(4(9)10)6-5(11)7-3/h8-11,13-14H,4-7,12H2,1-3H3,(H,20,21);2*1H,(H,9,10)(H2,6,7,8,11)

HIDE SMILES / InChI

Molecular Formula	C5H4N2O4
Molecular Weight	156.0963
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Molecular Formula	C18H26ClN3
Molecular Weight	319.872
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

Substance Class	Chemical Created by `admin` on `Fri Dec 15 17:46:21 UTC 2023` Edited by `admin` on `Fri Dec 15 17:46:21 UTC 2023`
Record UNII	1RO28BA0DO
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CHLOROQUINE DIOROTATE

Common Name

English

1,4-PENTANEDIAMINE, N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-, BIS(1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINECARBOXYLATE)

Common Name

English

Chloroquine diorotate [WHO-DD]

Common Name

English

1,2,3,6-TETRAHYDRO-2,6-DIOXO-4-PYRIMIDINECARBOXYLIC ACID COMPD. WITH N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-1,4-PENTANEDIAMINE (2:1)

Systematic Name

English

4-PYRIMIDINECARBOXYLIC ACID, 1,2,3,6-TETRAHYDRO-2,6-DIOXO-, COMPD. WITH N4-(7-CHLORO-4-QUINOLINYL)-N1,N1-DIETHYL-1,4-PENTANEDIAMINE (2:1)

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID00936779