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Details

Stereochemistry MIXED
Molecular Formula C34H31N4O6.Fe.2Na.H
Molecular Weight 694.466
Optical Activity UNSPECIFIED
Defined Stereocenters 0 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of IRON(II) SODIUM CHLOROPHYLLIN

SMILES

[H+].[Na+].[Na+].[Fe++].CCC1=C(C)C2=CC3=C(C=C)C(C)=C([N-]3)C=C4N=C(C(CCC([O-])=O)C4C)C(CC([O-])=O)=C5[N-]C(=CC1=N2)C(C)=C5C([O-])=O

InChI

InChIKey=OGMQNMUHVLRDRT-UHFFFAOYSA-J
InChI=1S/C34H36N4O6.Fe.2Na/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;;;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);;;/q;+2;2*+1/p-4

HIDE SMILES / InChI

Approval Year

Name Type Language
IRON(II) SODIUM CHLOROPHYLLIN
Common Name English
Sodium iron chlorophyllin [WHO-DD]
Common Name English
Code System Code Type Description
SMS_ID
300000027198
Created by admin on Sat Dec 16 08:58:22 UTC 2023 , Edited by admin on Sat Dec 16 08:58:22 UTC 2023
PRIMARY
EPA CompTox
DTXSID10954343
Created by admin on Sat Dec 16 08:58:22 UTC 2023 , Edited by admin on Sat Dec 16 08:58:22 UTC 2023
PRIMARY
FDA UNII
TPD83Q6D2H
Created by admin on Sat Dec 16 08:58:22 UTC 2023 , Edited by admin on Sat Dec 16 08:58:22 UTC 2023
PRIMARY
PUBCHEM
169450
Created by admin on Sat Dec 16 08:58:22 UTC 2023 , Edited by admin on Sat Dec 16 08:58:22 UTC 2023
PRIMARY
CAS
32627-52-4
Created by admin on Sat Dec 16 08:58:22 UTC 2023 , Edited by admin on Sat Dec 16 08:58:22 UTC 2023
PRIMARY