Pentapotassium 3-((9,10-bis(sulfonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulfate)

Details

Stereochemistry	ACHIRAL
Molecular Formula	C45H21N2O20S5.5K
Molecular Weight	1265.466
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of Pentapotassium 3-((9,10-bis(sulfonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulfate)

Structure Search

SMILES

[K+].[K+].[K+].[K+].[K+].[O-]S(=O)(=O)OC1=C2C=CC=C(NC3=CC4=C(OS([O-])(=O)=O)C5=C6C(C=CC7=C6C(C=C5)=C8C=CC9=C(C(OS([O-])(=O)=O)=C%10C=CC=CC%10=C9OS([O-])(=O)=O)C8=N7)=C4C=C3)C2=C(OS([O-])(=O)=O)C%11=C1C=CC=C%11

InChI

InChIKey=LOKPUPKFAXKLQF-UHFFFAOYSA-I

InChI=1S/C45H26N2O20S5.5K/c48-68(49,50)63-41-26-6-1-3-8-28(26)44(66-71(57,58)59)38-30(41)10-5-11-34(38)46-21-12-13-22-23-18-19-35-37-24(14-16-31(36(23)37)43(33(22)20-21)65-70(54,55)56)25-15-17-32-39(40(25)47-35)45(67-72(60,61)62)29-9-4-2-7-27(29)42(32)64-69(51,52)53;;;;;/h1-20,46H,(H,48,49,50)(H,51,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62);;;;;/q;5*+1/p-5

HIDE SMILES / InChI

Molecular Formula	K
Molecular Weight	39.0983
Charge	1
Count

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

Molecular Formula	C45H21N2O20S5
Molecular Weight	1069.975
Charge	-5
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 `Wed Apr 02 19:16:24 GMT 2025` Edited by `admin` on `Wed Apr 02 19:16:24 GMT 2025`
Record UNII	QN9M3H7P4S
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

Anthra[2,1,9-mna]naphth[2,3-h]acridine-5,10,15-triol, 3-[[9,10-bis(sulfooxy)-1-anthracenyl]amino]-, tris(hydrogen sulfate) (ester), pentapotassium salt

Preferred Name

English

Pentapotassium 3-((9,10-bis(sulfonatooxy)-1-anthryl)amino)anthra(2,1,9-mna)naphth(2,3-h)acridine-5,10,15-triyl tris(sulfate)

Common Name

English

Code System Code Type Description

CAS

85409-34-3