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4009-68-1

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Basic Information
CAS No.: 4009-68-1
Name: Adrenochrome Monoaminoguanidine Mesilate
Molecular Structure:
Molecular Structure of 4009-68-1 (Adrenochrome Monoaminoguanidine Mesilate)
Formula: C11H15N5O5S
Molecular Weight: 329.33
Synonyms: 5,6-Indoledione, 3-hydroxy-1-methyl-, 5-(amidinohydrazone), monomethanesulfonate (salt);Hydrazinecarboximidamide,2-(1,2,3,6-tetrahydro- 3-hydroxy-1-methyl-6-oxo-5Hindol- 5-ylidene)-,monomethanesulfonate (salt);Adrenochrome monoguanylhydrazone methanesulfonate;S-Adchnone;Adrenochrome guanylhydrazone mesilate;2-[(6-hydroxy-1-methyl-3-oxo-indol-5-yl)amino]guanidine; methanesulfonate;Hydrazinecarboximidamide, 2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-, monomethanesulfonate (salt);Adrenochrome guanylhydrazone mesilate [JAN];Methanesulfonic acid, compd. with ((3-hydroxy-1-methyl-6-oxo-5(6H)-indolinylidene)amino)guanidine;5,6-INDOLEDIONE, 3-HYDROXY-1-METHYL-, 5-(AMIDINOHYDRAZONE), MONOMETHANESULFONATE;S-Adchnon;Adchnon S;Methanesulfonic acid, compd. with (3-hydroxy-1-methyl-6-oxo-5(6H)-indolinyleneamino)guanidine;30500-64-2;
PSA: 192.54000
LogP: 0.20790
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Specification

This chemical is called Guanidine, ((5,6-dihydro-3-hydroxy-1-methyl-6-oxo-5-indolinylidene)amino)-, monomethanesulfonate (salt), and its IUPAC name is 2-[(6-hydroxy-1-methyl-3-oxoindol-1-ium-5-yl)amino]guanidine; methanesulfonate. With the molecular formula of C11H15N5O5S, its molecular weight is 329.33. The CAS registry number of this chemical is 4009-68-1. 

Other characteristics of Guanidine, ((5,6-dihydro-3-hydroxy-1-methyl-6-oxo-5-indolinylidene)amino)-, monomethanesulfonate (salt) can be summarised as followings: (1)#H bond acceptors: 7; (2)#H bond donors: 6; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 51.39 Å2.

You can still convert the following datas into molecular structure:
1.SMILES: [O-]S(=O)(=O)C.O=C/2c1cc(c(O)cc1\[N+](=C\2)C)N/N=C(\N)N
2.InChI: InChI=1/C10H11N5O2.CH4O3S/c1-15-4-9(17)5-2-6(13-14-10(11)12)8(16)3-7(5)15;1-5(2,3)4/h2-4H,1H3,(H5,11,12,14,16,17);1H3,(H,2,3,4)
3.InChIKey: DTPATGHBKJBEHE-UHFFFAOYAQ
4.Std. InChI: InChI=1S/C10H11N5O2.CH4O3S/c1-15-4-9(17)5-2-6(13-14-10(11)12)8(16)3-7(5)15;1-5(2,3)4/h2-4H,1H3,(H5,11,12,14,16,17);1H3,(H,2,3,4)
5.Std. InChIKey: DTPATGHBKJBEHE-UHFFFAOYSA-N