PNU-145156E

Details

Stereochemistry	ACHIRAL
Molecular Formula	C45H36N10O17S4.4Na
Molecular Weight	1209.043
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].[Na+].[Na+].CN1C=C(NC(=O)NC2=CN(C)C(=C2)C(=O)NC3=CN(C)C(=C3)C(=O)NC4=CC5=C(C=C(C=C5C=C4)S([O-])(=O)=O)S([O-])(=O)=O)C=C1C(=O)NC6=CN(C)C(=C6)C(=O)NC7=CC8=C(C=C(C=C8C=C7)S([O-])(=O)=O)S([O-])(=O)=O

InChI

InChIKey=XUWLTCQVQARIFB-UHFFFAOYSA-J

InChI=1S/C45H40N10O17S4.4Na/c1-52-19-27(13-35(52)41(56)46-25-7-5-23-9-31(73(61,62)63)17-39(33(23)11-25)75(67,68)69)48-43(58)37-15-29(21-54(37)3)50-45(60)51-30-16-38(55(4)22-30)44(59)49-28-14-36(53(2)20-28)42(57)47-26-8-6-24-10-32(74(64,65)66)18-40(34(24)12-26)76(70,71)72;;;;/h5-22H,1-4H3,(H,46,56)(H,47,57)(H,48,58)(H,49,59)(H2,50,51,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72);;;;/q;4*+1/p-4

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	C45H36N10O17S4
Molecular Weight	1117.084
Charge	-4
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 `Fri Dec 15 18:50:34 GMT 2023` Edited by `admin` on `Fri Dec 15 18:50:34 GMT 2023`
Record UNII	XFP1GR4JYU
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PNU-145156E

Code

English

FCE-26644

Code

English

PNU 151484

Code

English

1,3-NAPHTHALENEDISULFONIC ACID, 7,7'-(CARBONYLBIS(IMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO(1-METHYL-1H-PYRROLE-4,2-DIYL)CARBONYLIMINO))BIS-, SODIUM SALT (1:4)

Systematic Name

English

PNU-151484

Code

English

FCE 26644

Code

English

Code System Code Type Description

NCI_THESAURUS

C1824