3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid
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![3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/6ab6ad12fe0045379c4e7ac20855e353.png "3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid")
3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid
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CAS No:
35871-70-6
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Formula:
C9H24N2O6P2S2
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Chemical Name:
3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid
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Synonyms:
N,N'-Trimethylenebis(sodium S-2-aminoethylhydrogen phosphorothioate);Phosphorothioic acid, S-ester with trimethylenediiminodipropanethiol (2:1);35871-70-6;BRN 2297561;DTXSID50957292;3,3'-(Trimethylenebisimino)di(propane-1-thiol)bisphosphate;N,N'-Trimethylenebis[s-3-aminopropyl-phosphorothioic acid;S,S'-[Propane-1,3-diylbis(azanediylpropane-3,1-diyl)] bis[dihydrogen (phosphorothioate)];S-(13,13-Dihydroxy-13-oxido-12-thia-4,8-diaza-13-phosphatridec-1-yl) dihydrogen thiophosphate #
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CAS No:
3-[3-(3-phosphonosulfanylpropylamino)propylamino]propylsulfanylphosphonic acid Basic Attributes
382.4 g/mol
382.05510283 g/mol
Toxicity
| Name | Type of Test | Exposure Route | Species Observed | Dose/Duration | Toxic Effects | Reference |
|---|---|---|---|---|---|---|
| ACUTE TOXICITY DATA | LD50 - Lethal dose, 50 percent kill | Intraperitoneal | Rodent - mouse | 400 mg/kg | Details of toxic effects not reported other than lethal dose value-- | Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 18,803,1975 |
Computed Properties
Molecular Weight:382.4
XLogP3:-6.9
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:14
Exact Mass:382.05510283
Monoisotopic Mass:382.05510283
Topological Polar Surface Area:190
Heavy Atom Count:21
Complexity:319
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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