DISODIUM AMSONATE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C14H12N2O6S2.2Na
Molecular Weight	414.364
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

[Na+].[Na+].NC1=CC=C(\C=C\C2=CC=C(N)C=C2S([O-])(=O)=O)C(=C1)S([O-])(=O)=O

InChI

InChIKey=YAKFHPREDNNSFX-SEPHDYHBSA-L

InChI=1S/C14H14N2O6S2.2Na/c15-11-5-3-9(13(7-11)23(17,18)19)1-2-10-4-6-12(16)8-14(10)24(20,21)22;;/h1-8H,15-16H2,(H,17,18,19)(H,20,21,22);;/q;2*+1/p-2/b2-1+;;

HIDE SMILES / InChI

Molecular Formula	C14H12N2O6S2
Molecular Weight	368.385
Charge	-2
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

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

Description
Sources: https://www.ncbi.nlm.nih.gov/pubmed/1316972 | https://www.ncbi.nlm.nih.gov/pubmed/12621518

4,4’-Diamino-2,2’-stilbenedisulfonic acid (also known as amsonic acid) is used in the synthesis of dyes and optical brighteners or fluorescent whitening agents. Amsonic acid possesses estrogenic activity, and thus provided a possible mechanistic explanation for the complaints of impotency in factory workers exposed to this compound. In the 2-year feed studies on rodents, there was no evidence of carcinogenic activity of amsonic acid, in male or female F344/N rats receiving 12,500 or 25,000 ppm. In addition, there was no evidence of carcinogenic activity of this compound in male or female B6C3F1 mice receiving 6,250 or 12,500 ppm.

Approval Year

Conditions

Condition	Modality	Targets	Highest Phase	Product
Unknown 2578

PubMed

Title	Date	PubMed
Uterotropic action in rats of amsonic acid and three of its synthetic precursors.	1992 May	1316972
Coupling of anodic oxidation and adsorption by granular activated carbon for chemical oxygen demand removal from 4,4'-diaminostilbene-2,2'-disulfonic acid wastewater.	2010	21099056

Sample Use Guides

In Vivo Use Guide

Toxicology Studies in rodents: F344/N rats and B6C3F1 mice of each sex for 14 days, 13 weeks, and 2 years. Groups of five rats and five mice of each sex were given 0, 6,250, 12,500, 25,000, 50,000, or 100,000 ppm 4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt, in feed for 14 days. Groups of 10 rats and 10 mice of each sex were given 0, 6,250, 12,500, 25,000, 50,000, or 100,000 ppm 4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt, in feed for 13 weeks. Groups of 60 rats of each sex were given 0, 12,500 or 25,000 ppm and groups of 60 mice of each sex were given 0, 6,250, or 12,500 ppm 4,4'-diamino-2,2'-stilbenedisulfonic acid, disodium salt, in feed for up to 103 weeks.

Route of Administration: Oral

In Vitro Use Guide

Genetic toxicology studies: 4,4'-Diamino-2,2'-stilbenedisulfonic acid was not mutagenic in Salmonella typhimurium strains TA100, TA1535, TA1537, or TA98 with or without S9 metabolic activation. 4,4'-Diamino-2,2'-stilbenedisulfonic acid did not induce sister chromatid exchanges or chromosomal aberrations in Chinese hamster ovary cells in the presence or absence of S9.

Substance Class	Chemical Created by `admin` on `Sat Dec 16 09:32:32 GMT 2023` Edited by `admin` on `Sat Dec 16 09:32:32 GMT 2023`
Record UNII	745M768A96
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

DISODIUM AMSONATE

Common Name

English

AMSONIC ACID DISODIUM SALT

Common Name

English

BENZENESULFONIC ACID, 2,2'-(1,2-ETHENEDIYL)BIS(5-AMINO-, DISODIUM SALT, (E)-

Systematic Name

English

(E)-6,6'-(ETHENE-1,2-DIYL)BIS(3-AMINOBENZENESULFONIC ACID)

Systematic Name

English

Code System Code Type Description

CAS

7336-20-1