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

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 of CALMANGAFODIPIR

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

Approval Year

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
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
Code System Code Type Description
FDA UNII
N0JZU0WGU5
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
PRIMARY
PUBCHEM
146019463
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
PRIMARY
CAS
1401243-67-1
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
PRIMARY
NCI_THESAURUS
C102747
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
PRIMARY
SMS_ID
100000184216
Created by admin on Sat Dec 16 14:17:37 GMT 2023 , Edited by admin on Sat Dec 16 14:17:37 GMT 2023
PRIMARY