RFI-641

Details

Stereochemistry	ACHIRAL
Molecular Formula	C58H60N24O22S6.2Na
Molecular Weight	1683.614
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC(=O)CN(CC(N)=O)S(=O)(=O)C1=CC(NC2=NC(NC3=CC=C(C4=CC=C(NC5=NC(NC6=CC=CC(=C6)S(=O)(=O)N(CC(N)=O)CC(N)=O)=NC(NC7=CC=CC(=C7)S(=O)(=O)N(CC(N)=O)CC(N)=O)=N5)C=C4S([O-])(=O)=O)C(=C3)S([O-])(=O)=O)=NC(NC8=CC=CC(=C8)S(=O)(=O)N(CC(N)=O)CC(N)=O)=N2)=CC=C1

InChI

InChIKey=UNNCHYARSNZOPF-UHFFFAOYSA-L

InChI=1S/C58H62N24O22S6.2Na/c59-45(83)23-79(24-46(60)84)105(91,92)37-9-1-5-31(17-37)67-53-73-54(68-32-6-2-10-38(18-32)106(93,94)80(25-47(61)85)26-48(62)86)76-57(75-53)71-35-13-15-41(43(21-35)109(99,100)101)42-16-14-36(22-44(42)110(102,103)104)72-58-77-55(69-33-7-3-11-39(19-33)107(95,96)81(27-49(63)87)28-50(64)88)74-56(78-58)70-34-8-4-12-40(20-34)108(97,98)82(29-51(65)89)30-52(66)90;;/h1-22H,23-30H2,(H2,59,83)(H2,60,84)(H2,61,85)(H2,62,86)(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,90)(H,99,100,101)(H,102,103,104)(H3,67,68,71,73,75,76)(H3,69,70,72,74,77,78);;/q;2*+1/p-2

HIDE SMILES / InChI

Molecular Formula	Na
Molecular Weight	22.9898
Charge	1
Count

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

Molecular Formula	C58H60N24O22S6
Molecular Weight	1637.635
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 04:41:02 GMT 2023` Edited by `admin` on `Sat Dec 16 04:41:02 GMT 2023`
Record UNII	FR2W015BG1
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

RFI-641

Common Name

English

(1,1'-BIPHENYL)-2,2'-DISULFONIC ACID, 4,4'-BIS((4,6-BIS((3-((BIS(2-AMINO-2-OXOETHYL)AMINO)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, SODIUM SALT (1:2)

Common Name

English

(1,1'-BIPHENYL)-2,2'-DISULFONIC ACID, 4,4'-BIS((4,6-BIS((3-((BIS(2-AMINO-2-OXOETHYL)AMINO)SULFONYL)PHENYL)AMINO)-1,3,5-TRIAZIN-2-YL)AMINO)-, DISODIUM SALT

Common Name

English

Code System Code Type Description

EPA CompTox

DTXSID20173422

Created by admin on Sat Dec 16 04:41:02 GMT 2023 , Edited by admin on Sat Dec 16 04:41:02 GMT 2023

PRIMARY

FDA UNII

FR2W015BG1

Created by admin on Sat Dec 16 04:41:02 GMT 2023 , Edited by admin on Sat Dec 16 04:41:02 GMT 2023

PRIMARY

PUBCHEM

16156223

Created by admin on Sat Dec 16 04:41:02 GMT 2023 , Edited by admin on Sat Dec 16 04:41:02 GMT 2023

PRIMARY

CAS

197366-24-8

Created by admin on Sat Dec 16 04:41:02 GMT 2023 , Edited by admin on Sat Dec 16 04:41:02 GMT 2023

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RFI-641 FREE ACID

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