6-[3-[7-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]heptoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine,dibromide

Details

Stereochemistry	ACHIRAL
Molecular Formula	C47H48N6O2.2Br
Molecular Weight	888.731
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 6-[3-[7-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]heptoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine,dibromide

Structure Search

SMILES

[Br-].[Br-].C[N+]1=C2C=C(N)C=CC2=C3C=CC(N)=CC3=C1C4=CC=CC(OCCCCCCCOC5=CC=CC(=C5)C6=C7C=C(N)C=CC7=C8C=CC(N)=CC8=[N+]6C)=C4

InChI

InChIKey=LAGWYFIXLVDZJL-UHFFFAOYSA-N

InChI=1S/C47H46N6O2.2BrH/c1-52-44-28-34(50)16-20-40(44)38-18-14-32(48)26-42(38)46(52)30-10-8-12-36(24-30)54-22-6-4-3-5-7-23-55-37-13-9-11-31(25-37)47-43-27-33(49)15-19-39(43)41-21-17-35(51)29-45(41)53(47)2;;/h8-21,24-29,50-51H,3-7,22-23,48-49H2,1-2H3;2*1H

HIDE SMILES / InChI

Molecular Formula	Br
Molecular Weight	79.904
Charge	-1
Count

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

Molecular Formula	C47H48N6O2
Molecular Weight	728.923
Charge	2
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 12:45:56 GMT 2023` Edited by `admin` on `Sat Dec 16 12:45:56 GMT 2023`
Record UNII	TRV6H8T8KV
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

6-[3-[7-[3-(3,8-diamino-5-methylphenanthridin-5-ium-6-yl)phenoxy]heptoxy]phenyl]-5-methylphenanthridin-5-ium-3,8-diamine,dibromide

Systematic Name

English

PHENANTHRIDINIUM, 6,6'-(1,7-HEPTANEDIYLBIS(OXY-3,1-PHENYLENE))BIS(3,8-DIAMINO-5-METHYL-, DIBROMIDE

Common Name

English

NSC-315843

Code

English

Code System Code Type Description

CAS

79053-81-9

Created by admin on Sat Dec 16 12:45:56 GMT 2023 , Edited by admin on Sat Dec 16 12:45:56 GMT 2023

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FDA UNII

TRV6H8T8KV

Created by admin on Sat Dec 16 12:45:56 GMT 2023 , Edited by admin on Sat Dec 16 12:45:56 GMT 2023

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NSC

315843

Created by admin on Sat Dec 16 12:45:56 GMT 2023 , Edited by admin on Sat Dec 16 12:45:56 GMT 2023

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PUBCHEM

157372

Created by admin on Sat Dec 16 12:45:56 GMT 2023 , Edited by admin on Sat Dec 16 12:45:56 GMT 2023

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