IRON(II) SODIUM CHLOROPHYLLIN

Investigational

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

Structure Search

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

Molecular Formula	C34H31N4O6
Molecular Weight	591.6331
Charge	-5
Count

Stereochemistry	MIXED
Additional Stereochemistry	No
Defined Stereocenters	0 / 2
E/Z Centers	0
Optical Activity	UNSPECIFIED

Molecular Formula	Fe
Molecular Weight	55.845
Charge	2
Count

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

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
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 08:58:22 GMT 2023` Edited by `admin` on `Sat Dec 16 08:58:22 GMT 2023`
Record UNII	TPD83Q6D2H
Record Status	`Validated (UNII)`
Record Version

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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