N-306711

Details

Stereochemistry	ACHIRAL
Molecular Formula	C32H18N7O13S3.2Cu.3H
Molecular Weight	934.835
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	2
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[H+].[H+].[H+].[Cu++].[Cu++].CC1=NN(C([O-])=C1\N=N\C2=C([O-])C=C(C=C2)C3=CC=C(\N=N\C4=CC=C5C(=CC(=C(N)C5=C4[O-])S([O-])(=O)=O)S([O-])(=O)=O)C([O-])=C3)C6=CC=C(C=C6)S([O-])(=O)=O

InChI

InChIKey=UTAFIENDUNKIPD-AVRYKWKFSA-J

InChI=1S/C32H25N7O13S3.2Cu/c1-15-30(32(43)39(38-15)18-4-6-19(7-5-18)53(44,45)46)37-35-22-10-3-17(13-25(22)41)16-2-9-21(24(40)12-16)34-36-23-11-8-20-26(54(47,48)49)14-27(55(50,51)52)29(33)28(20)31(23)42;;/h2-14,40-43H,33H2,1H3,(H,44,45,46)(H,47,48,49)(H,50,51,52);;/q;2*+2/p-4/b36-34+,37-35+;;

HIDE SMILES / InChI

Molecular Formula	H
Molecular Weight	1.0079
Charge	1
Count

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

Molecular Formula	C32H18N7O13S3
Molecular Weight	804.719
Charge	-7
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	2
Optical Activity	NONE

Molecular Formula	Cu
Molecular Weight	63.546
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 15:46:18 GMT 2023` Edited by `admin` on `Sat Dec 16 15:46:18 GMT 2023`
Record UNII	I5P94OP316
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

N-306711

Code

English

CUPRATE(3-), (.MU.-(4-AMINO-6-((4'-((4,5-DIHYDRO-3-METHYL-5-(OXO-.KAPPA.O)-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL)AZO-.KAPPA.N1)-3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4-YL)AZO-.KAPPA.N1)-5-(HYDROXY-.KAPPA.O)-1,3-NAPHTHALENEDISULFONATO(7-)))DI-, TRIHYDROGEN

Systematic Name

English

HYDROGEN (.MU.-(4-AMINO-6-(2-(4'-(2-(4,5-DIHYDRO-3-METHYL-5-(OXO-.KAPPA.O)-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL-.KAPPA.N1)-3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4-YL)DIAZENYL-.KAPPA.N1)-5-(HYDROXY-.KAPPA.O)-1,3-NAPHTHALENEDISULFONATO(7-)))DICUPR

Systematic Name

English

NSC-306711

Code

English

CUPRATE(3-), (.MU.-(4-AMINO-6-(2-(4'-(2-(4,5-DIHYDRO-3-METHYL-5-(OXO-.KAPPA.O)-1-(4-SULFOPHENYL)-1H-PYRAZOL-4-YL)DIAZENYL-.KAPPA.N1)-3,3'-DI(HYDROXY-.KAPPA.O)(1,1'-BIPHENYL)-4-YL)DIAZENYL-.KAPPA.N1)-5-(HYDROXY-.KAPPA.O)-1,3-NAPHTHALENEDISULFONATO(7-)))DI

Systematic Name

English

Code System Code Type Description

CAS

813419-93-1

Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023

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EPA CompTox

DTXSID30714542

Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023

PRIMARY

FDA UNII

I5P94OP316

Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023

PRIMARY

NSC

306711

Created by admin on Sat Dec 16 15:46:18 GMT 2023 , Edited by admin on Sat Dec 16 15:46:18 GMT 2023

PRIMARY

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