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2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
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![2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/0e0dcc0ab8f3480d8bf835ddeba82e1c.png "2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol")
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
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CAS No:
60640-79-1
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Formula:
C27H33N5O7
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Chemical Name:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
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Synonyms:
TI-72; Teasuprine; 4-Hydroxy-N-(1-methyl-2-phenoxyethyl)norephedrine 7-theophyline acetate;
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CAS No:
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol Basic Attributes
539.58000
539.23799841
Computed Properties
Molecular Weight:539.6
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:9
Exact Mass:539.23799841
Monoisotopic Mass:539.23799841
Topological Polar Surface Area:158
Heavy Atom Count:39
Complexity:684
Undefined Atom Stereocenter Count:3
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
Guide of 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid,4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
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