piperazine;4-(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)pentanoic acid
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![piperazine;4-(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)pentanoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/d7d655d9f9014e139d327307bef3b596.png "piperazine;4-(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)pentanoic acid")
piperazine;4-(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)pentanoic acid
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CAS No:
6266-73-5
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Formula:
C28H50N2O5
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Chemical Name:
piperazine;4-(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)pentanoic acid
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Synonyms:
NSC36819;MLS002608004;NSC-36819;6266-73-5;SMR001526760;3,7,12-trihydroxycholan-24-oic acid compound with piperazine (1:1)
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CAS No:
piperazine;4-(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)pentanoic acid Basic Attributes
494.7 g/mol
494.37197270 g/mol
36819
DTXSID0045094
Computed Properties
Molecular Weight:494.7
Hydrogen Bond Donor Count:6
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:494.37197270
Monoisotopic Mass:494.37197270
Topological Polar Surface Area:122
Heavy Atom Count:35
Complexity:663
Undefined Atom Stereocenter Count:11
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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