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Investigational

Details

Stereochemistry	ACHIRAL
Molecular Formula	C64H76N8O4.Mn
Molecular Weight	1076.2775
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	5

SHOW SMILES / InChI

Structure Search

SMILES

[Mn+3].CCCCOCC[N+]1=C(C=CC=C1)C2=C3[N-]C(C=C3)=C(C4=NC(C=C4)=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=[N+](CCOCCCC)C=CC=C7)C8=[N+](CCOCCCC)C=CC=C8)C9=[N+](CCOCCCC)C=CC=C9

InChI

InChIKey=CZXJDWRMJZZOTQ-UHFFFAOYSA-N

InChI=1S/C64H76N8O4.Mn/c1-5-9-41-73-45-37-69-33-17-13-21-57(69)61-49-25-27-51(65-49)62(58-22-14-18-34-70(58)38-46-74-42-10-6-2)53-29-31-55(67-53)64(60-24-16-20-36-72(60)40-48-76-44-12-8-4)56-32-30-54(68-56)63(52-28-26-50(61)66-52)59-23-15-19-35-71(59)39-47-75-43-11-7-3;/h13-36H,5-12,37-48H2,1-4H3;/q+2;+3

HIDE SMILES / InChI

Molecular Formula	C64H77N8O4
Molecular Weight	1022.3474
Charge	2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	Mn
Molecular Weight	54.938045
Charge	3
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 `Tue Apr 01 16:21:08 GMT 2025` Edited by `admin` on `Tue Apr 01 16:21:08 GMT 2025`
Record UNII	J06K64323R
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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Common Name

English

MANGANESE(5+), ((2,2',2'',2'''-(21H,23H-PORPHINE-5,10,15,20-TETRAYL-.KAPPA.N21,.KAPPA.N22,.KAPPA.N23,.KAPPA.N24)TETRAKIS(1-(2-BUTOXYETHYL)PYRIDINIUMATO))(2-))-, (SP-4-1)-

Preferred Name

English

Code System Code Type Description

PUBCHEM

91664357

Created by admin on Tue Apr 01 16:21:08 GMT 2025 , Edited by admin on Tue Apr 01 16:21:08 GMT 2025

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FDA UNII

J06K64323R

Created by admin on Tue Apr 01 16:21:08 GMT 2025 , Edited by admin on Tue Apr 01 16:21:08 GMT 2025

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CAS

1379866-50-8

Created by admin on Tue Apr 01 16:21:08 GMT 2025 , Edited by admin on Tue Apr 01 16:21:08 GMT 2025

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