3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid
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![3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/09c149680de240f8a490cf9191dcbf6b.png "3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid")
3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid
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CAS No:
35179-35-2
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Formula:
C29H47N3O4
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Chemical Name:
3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid
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Synonyms:
cholylhistamine;35179-35-2;Cholylhistamine;DTXSID90956623;(4R)-N-[2-(1H-imidazol-5-yl)ethyl]-4-[(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-3,7,12-trihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanamide;3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid;Cholestan-24-amide, 3,7,12-trihydroxy-N-(2-(1H-imidazol-5-yl)ethyl)-, (3alpha,7alpha,12alpha)-
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CAS No:
3,7,12-Trihydroxy-N-[2-(1H-imidazol-5-yl)ethyl]cholan-24-imidic acid Basic Attributes
501.7 g/mol
501.35665699 g/mol
Computed Properties
Molecular Weight:501.7
XLogP3:3.5
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:7
Exact Mass:501.35665699
Monoisotopic Mass:501.35665699
Topological Polar Surface Area:119
Heavy Atom Count:36
Complexity:797
Defined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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