tibolone (Q413805)

inferred from isomeric SMILES

German Wikipedia

mass

312.208930136 dalton

1 reference

based on heuristic

stereoisomer of

(17alpha)-17-Hydroxy-7-methyl-19-norpregn-5(10)-en-20-yn-3-one

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₂₈O₂

2 references

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

0 references

isomeric SMILES

C[C@@H]1CC2=C(CCC(=O)C2)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)C#C)[C@H]13

1 reference

https://www.whocc.no/atc_ddd_index/?code=G03CX01

14 February 2018

2.5 milligram

route of administration

oral administration

1 reference

reference URL

subject has role

antihypertensive drug

1 reference

15 March 2018

1 reference

MeSH descriptor ID

C027385

hormonal antineoplastic agent

15 March 2018

1 reference

15 March 2018

1 reference

MeSH descriptor ID

C027385

estrogen receptor modulators

15 March 2018

1 reference

15 March 2018

C66955

1 reference

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

14 February 2018

Tibolone

0 references

Identifiers

InChI

1 reference

PubChem

2 references

PubChem

14 February 2018

2 references

14 February 2018

https://commonchemistry.cas.org/detail?cas_rn=5630-53-5

10 April 2021

ChemSpider ID

392038

1 reference

English Wikipedia

PubChem CID

444008

2 references

German Wikipedia

ChEBI ID

32223

mapping relation type

exact match

3 references

English Wikipedia

ChEBI release 2021-03-01

International Chemical Identifier

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

ChEMBL ID

CHEMBL1558898

1 reference

2 references

inferred from InChIKey

splash10-0002-0971000000-09912161a9fdfe89ed83

1 reference

0 references

DSSTox substance ID

DTXSID5023667

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

0 references

227-069-1

1 reference

UNII

FF9X0205V2

ECHA Substance Infocard ID

14 February 2018

100.024.609

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

Tibolone (English)

CAS no.: 5630-53-5 (English)

ATC code

G03CX01

0 references

Guide to Pharmacology Ligand ID

9711

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

5 February 2021

1 reference

14 March 2018

1 reference

14 February 2018

1 reference

UNII

FF9X0205V2

2 references

UNII

FF9X0205V2

14 February 2018

1 reference

26 February 2018

0 references

1 reference

1 reference