EXEPORFINIUM CHLORIDE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C44H50N6O2.2Cl
Molecular Weight	765.813
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Cl-].[Cl-].C[N+](C)(C)CCCOC1=CC=C(C=C1)C2=C3C=CC(C=C4NC(C=C4)=C(C5=NC(C=C5)=CC6=CC=C2N6)C7=CC=C(OCCC[N+](C)(C)C)C=C7)=N3

InChI

InChIKey=KJLHJQGDBJNMPU-XRFOENPRSA-L

InChI=1S/C44H50N6O2.2ClH/c1-49(2,3)25-7-27-51-37-17-9-31(10-18-37)43-39-21-13-33(45-39)29-35-15-23-41(47-35)44(42-24-16-36(48-42)30-34-14-22-40(43)46-34)32-11-19-38(20-12-32)52-28-8-26-50(4,5)6;;/h9-24,29-30,45,48H,7-8,25-28H2,1-6H3;2*1H/q+2;;/p-2/b33-29-,34-30-,35-29-,36-30-,43-39-,43-40-,44-41-,44-42-;;

HIDE SMILES / InChI

Molecular Formula	ClH
Molecular Weight	36.461
Charge	0
Count

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

Molecular Formula	C44H52N6O2
Molecular Weight	696.9227
Charge	2
Count

Stereochemistry	MIXED
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 01:29:52 UTC 2023` Edited by `admin` on `Sat Dec 16 01:29:52 UTC 2023`
Record UNII	1912L54M2V
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

EXEPORFINIUM CHLORIDE

Official Name

English

XF-73

Code

English

exeporfinium chloride [INN]

Common Name

English

1-PROPANAMINIUM, 3,3'-(21H,23H-PORPHINE-5,15-DIYLBIS(4,1-PHENYLENEOXY))BIS(N,N,N-TRIMETHYL-, CHLORIDE (1:2)

Common Name

English

3,3'-(21H,23H-PORPHYRIN-5,15-DIYLBIS(((4,1-PHENYLENE)OXY)-N,N,N-TRIMETHYLPROPAN-1-AMINIUM)) DICHLORIDE

Common Name

English

1-PROPANAMINIUM, 3,3'-(21H,23H-PORPHINE-5,15-DIYLBIS(4,1-PHENYLENEOXY))BIS(N,N,N-TRIMETHYL-, DICHLORIDE

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20992574