CHEBI:32260 - trilostane

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ChEBI Name trilostane
ChEBI ID CHEBI:32260
Definition An epoxy steroid that is 3,17β-dihydroxy-5α-androst-2-ene-2-carbonitrile in which the oxygen of the epoxy group is joined to the 4α and 5 α positions.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C20H27NO3
Net Charge 0
Average Mass 329.43332
Monoisotopic Mass 329.19909
InChI InChI=1S/C20H27NO3/c1-18-7-6-14-12(13(18)3-4-15(18)22)5-8-20-17(24-20)16(23)11(10-21)9-19(14,20)2/h12-15,17,22-23H,3-9H2,1-2H3/t12-,13-,14-,15-,17+,18-,19+,20+/m0/s1
InChIKey KVJXBPDAXMEYOA-CXANFOAXSA-N
SMILES [H][C@@]12CC[C@@]34O[C@@H]3C(O)=C(C[C@]4(C)[C@@]1([H])CC[C@]1(C)[C@@H](O)CC[C@@]21[H])C#N
Roles Classification
Biological Role(s): EC 1.1.1.210 [3beta(or 20alpha)-hydroxysteroid dehydrogenase] inhibitor
An EC 1.1.1.* (oxidoreductase acting on donor CH-OH group, NAD+ or NADP+ acceptor) inhibitor which interferes with the action of 3beta-hydroxysteroid dehydrogenase (EC 1.1.1.210), a group of steroidogenic enzymes.
Application(s): antineoplastic agent
A substance that inhibits or prevents the proliferation of neoplasms.
abortifacient
A chemical substance that interrupts pregnancy after implantation.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing trilostane (CHEBI:32260) has role abortifacient (CHEBI:50691)
trilostane (CHEBI:32260) has role antineoplastic agent (CHEBI:35610)
trilostane (CHEBI:32260) has role EC 1.1.1.210 [3β(or 20α)-hydroxysteroid dehydrogenase] inhibitor (CHEBI:50788)
trilostane (CHEBI:32260) is a 17β-hydroxy steroid (CHEBI:35343)
trilostane (CHEBI:32260) is a 3-hydroxy steroid (CHEBI:36834)
trilostane (CHEBI:32260) is a androstanoid (CHEBI:50402)
trilostane (CHEBI:32260) is a epoxy steroid (CHEBI:145217)
trilostane (CHEBI:32260) is a nitrile (CHEBI:18379)
IUPAC Name
3,17β-dihydroxy-4α,5-epoxy-5α-androst-2-ene-2-carbonitrile
INNs Sources
trilostane ChemIDplus
trilostano ChemIDplus
trilostanum ChemIDplus
Manual Xrefs Databases
1891 VSDB
2746 DrugCentral
D01180 KEGG DRUG
DB01108 DrugBank
Trilostane Wikipedia
US3296255 Patent
View more database links
Registry Number Type Source
13647-35-3 CAS Registry Number KEGG DRUG
Last Modified
28 October 2019