CALMANGAFODIPIR

Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	5C22H30N4O14P2.4Ca.Mn
Molecular Weight	3397.448
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0
Stereo Comments	Chelated complexes

SHOW SMILES / InChI

Structure Search

SMILES

[Ca++].[Ca++].[Ca++].[Ca++].[Mn++].CC1=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC2=C(O)C(C)=NC=C2COP(O)([O-])=O)CC(O)=O)=C1O.CC3=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC4=C(O)C(C)=NC=C4COP(O)([O-])=O)CC(O)=O)=C3O.CC5=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC6=C(O)C(C)=NC=C6COP(O)([O-])=O)CC(O)=O)=C5O.CC7=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC8=C(O)C(C)=NC=C8COP(O)([O-])=O)CC(O)=O)=C7O.CC9=NC=C(COP(O)([O-])=O)C(CN(CCN(CC(O)=O)CC%10=C(O)C(C)=NC=C%10COP(O)([O-])=O)CC(O)=O)=C9O

InChI

InChIKey=QAOJLUYEMFXJGX-UHFFFAOYSA-D

InChI=1S/5C22H32N4O14P2.4Ca.Mn/c5*1-13-21(31)17(15(5-23-13)11-39-41(33,34)35)7-25(9-19(27)28)3-4-26(10-20(29)30)8-18-16(12-40-42(36,37)38)6-24-14(2)22(18)32;;;;;/h5*5-6,31-32H,3-4,7-12H2,1-2H3,(H,27,28)(H,29,30)(H2,33,34,35)(H2,36,37,38);;;;;/q;;;;;5*+2/p-10

HIDE SMILES / InChI

Molecular Formula	Mn
Molecular Weight	54.938
Charge	2
Count

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

Molecular Formula	C22H30N4O14P2
Molecular Weight	636.4395
Charge	-2
Count

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

Molecular Formula	Ca
Molecular Weight	40.078
Charge	2
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 14:17:36 UTC 2023` Edited by `admin` on `Sat Dec 16 14:17:36 UTC 2023`
Record UNII	N0JZU0WGU5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

CALMANGAFODIPIR

Common Name

English

PLEDOX

Brand Name

English

Calmangafodipir [WHO-DD]

Common Name

English

CALMANGAFODIPIR (CA4MN(DPDP)5)

Common Name

English

TETRACALCIUM MONOMANGANESE PENTA(DIPYRIDOXYL DIPHOSPHATE)

Common Name

English

CALCIUM,N,N'-1,2-ETHANEDIYLBIS(N-((3-HYDROXY-2-METHYL-5-((PHOSPHONOOXY)METHYL)-4-PYRIDINYL)METHYL)GLYCINE) MANGANESE COMPLEXES TRISODIUM TRIHYDROGEN MANGANATE

Systematic Name

English

PP100-01

Code

English

Classification Tree Code System Code

FDA ORPHAN DRUG

676418