2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate
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![2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/04c528a0860e40d480c48f78927e5c93.png "2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate")
2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate
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CAS No:
100098-41-7
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Formula:
C18H31N5O10S2
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Chemical Name:
2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate
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Synonyms:
2-((methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid;MCA tris salt;100098-41-7;Mca tris salt;DTXSID60905204;2-((Methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid;Methyl hydrogen [2-({[({[2-nitro-5-(propylsulfanyl)phenyl]imino}methyl)amino]oxy}sulfonyl)ethyl]carbonimidate--2-amino-2-(hydroxymethyl)propane-1,3-diol (1/1)
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CAS No:
2-amino-2-(hydroxymethyl)propane-1,3-diol;[(2-nitro-5-propylsulfanylphenyl)iminomethylamino] 2-(methoxycarbonylamino)ethanesulfonate Basic Attributes
541.6 g/mol
541.15123455 g/mol
Drug Information
2-((methoxycarbonylamino)-(2-nitro-5-(n-propylthio)phenylimino)methylamino)ethansulfonic acid
Computed Properties
Molecular Weight:541.6
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:13
Rotatable Bond Count:14
Exact Mass:541.15123455
Monoisotopic Mass:541.15123455
Topological Polar Surface Area:272
Heavy Atom Count:35
Complexity:658
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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