HEME ARGINATE

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C34H34N4O4.C6H14N4O2.Fe
Molecular Weight	792.704
Optical Activity	UNSPECIFIED
Defined Stereocenters	1 / 1
E/Z Centers	0
Charge	2

SHOW SMILES / InChI

Structure Search

SMILES

[Fe++].N[C@@H](CCCNC(N)=N)C(O)=O.CC1=C(CCC(O)=O)C2=CC3=NC(=CC4=C(C=C)C(C)=C(N4)C=C5N=C(C=C1N2)C(C)=C5C=C)C(C)=C3CCC(O)=O

InChI

InChIKey=BONOMRJXDYBFLR-FCYLROMBSA-N

InChI=1S/C34H34N4O4.C6H14N4O2.Fe/c1-7-21-17(3)25-13-26-19(5)23(9-11-33(39)40)31(37-26)16-32-24(10-12-34(41)42)20(6)28(38-32)15-30-22(8-2)18(4)27(36-30)14-29(21)35-25;7-4(5(11)12)2-1-3-10-6(8)9;/h7-8,13-16,36-37H,1-2,9-12H2,3-6H3,(H,39,40)(H,41,42);4H,1-3,7H2,(H,11,12)(H4,8,9,10);/q;;+2/b25-13-,26-13-,27-14-,28-15-,29-14-,30-15-,31-16-,32-16-;;/t;4-;/m.0./s1

HIDE SMILES / InChI

Molecular Formula	C6H13N4O2
Molecular Weight	173.193
Charge	-1
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	1 / 1
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	C34H31N4O4
Molecular Weight	559.6343
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 `Fri Dec 15 19:21:58 UTC 2023` Edited by `admin` on `Fri Dec 15 19:21:58 UTC 2023`
Record UNII	R1B526117P
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

HEME ARGINATE

Common Name

English

Haem arginate [WHO-DD]

Common Name

English

HAEM ARGINATE

Common Name

English

Classification Tree Code System Code

FDA ORPHAN DRUG

79893