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tibolone

Properties

Image

Occurences in reactions

MNX_ID

MNXM732655

	#reac
in my sandbox	0
in MNXref (generic)	2
in models (compartimentalized)	0

formula

C₂₁H₂₈O₂

charge

mass

312.20893

reference

chebi:32223

InChIKey

WZDGZWOAQTVYBX-XOINTXKNSA-N

InChI

InChI=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

SMILES

C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@H]3C

Parent-child relations graph

Deprecated MNXref IDs graph

Similar chemical compounds in external resources
Identifier	Description
CHEBI:32223 chebi:32223	tibolone (17R)-17-hydroxy-7alpha-methyl-19-norpregn-5(10)-en-20-yn-3-one (7alpha,17alpha)-17-hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one (7alpha,17beta)-17-ethynyl-17-hydroxy-7-methylestr-5(10)en-3-one 17-hydroxy-7alpha-methyl-19-nor-17alpha-pregn-5(10)-en-20-yn-3-one 17alpha-ethynyl-17beta-hydroxy-7alpha-methylestr-5(10)-en-3-one tibolona tibolonum
sabiork.compound:15126 sabiorkM:15126	Tibolone
kegg.drug:D01639 keggD:D01639	Tibolone (JAN/USAN/INN)
keggD:M_D01639	secondary/obsolete/fantasy identifier