Tibolone

Basic Info

FADB-China IDC0557
Substance NameAnabolic agents
Substance Chinese Name合成代谢剂
Molecular NameTibolone
Molecular Chinese Name甲基异炔诺酮
2D StructureNo image
CAS Number5630-53-5
PubChem CID444008
FormulaC21H28O2
IUPAC Name(7R,8R,9S,13S,14S,17R)-17-ethynyl-17-hydroxy-7,13-dimethyl-1,2,4,6,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-one
InChI KeyWZDGZWOAQTVYBX-XOINTXKNSA-N
InChIInChI=1S/C21H28O2/c1-4-21(23)10-8-18-19-13(2)11-14-12-15(22)5-6-16(14)17(19)7-9-20(18,21)3/h1,13,17-19,23H,5-12H2,2-3H3/t13-,17-,18+,19-,20+,21+/m1/s1
Canonical SMILES

CC1CC2=C(CCC(=O)C2)C3C1C4CCC(C4(CC3)C)(C#C)O

Isomeric SMILES

C[C@@H]1CC2=C(CCC(=O)C2)[C@@H]3[C@@H]1[C@@H]4CC[C@]([C@]4(CC3)C)(C#C)O

CFM-ID 3.0URL Link
Related linksProcessing
Addition PurposesEnhance health care function
Molecular Synonyms
        
            Tibolone
        
            5630-53-5
        
            Liviella
        
            Tibolonum
        
            Xyvion
        
            Org OD 14
        
            Boltin
        
            Livial
        
            Tibolona
        
            UNII-FF9X0205V2
Data UploaderShuyu Ouyang
Update DateJul 25, 2019 20:46

Properties

Property NameProperty Value
Molecular Weight312.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Complexity636
Monoisotopic Mass312.20893014
Exact Mass312.20893014
XLogP2.4
Formal Charge0
Heavy Atom Count23
Defined Atom Stereocenter Count6
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Isotope Atom Count0
Covalently-Bonded Unit Count1

Related Foods

FADB-China ID F0142
Food Image No Pictures
Food Name Plant food supplements
Food Chinese Name 植物食品补充剂
Food Type Processed food
References Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review

Potential Illegal Additives

ID Structure Name Source PubChem Link


No Image

Norethynodrel		 

ToxCast & Tox21 Chemicals

Link

References

TitleDOI/PubMed/ISSN
Adulteration of Dietary Supplements by the Illegal Addition of Synthetic Drugs: A Review