flurogestone acetate (Q5462900)

CC(=O)C1(CCC2C1(CC(C3(C2CCC4=CC(=O)CCC43C)F)O)C)OC(=O)C

1 reference

31 January 2019

Flurogestone acetate (English)

InChI=1S/C23H31FO5/c1-13(25)22(29-14(2)26)10-8-17-18-6-5-15-11-16(27)7-9-20(15,3)23(18,24)19(28)12-21(17,22)4/h11,17-19,28H,5-10,12H2,1-4H3/t17-,18-,19-,20-,21-,22-,23-/m0/s1

isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H]([C@]3([C@H]2CCC4=CC(=O)CC[C@@]43C)F)O)C)OC(=O)C

1 reference

31 January 2019

Flurogestone acetate (English)

1 reference

Medical Subject Headings

15 March 2018

Flugestone acetate

0 references

Identifiers

InChI

2 references

31 January 2019

Flurogestone acetate (English)

https://pubchem.ncbi.nlm.nih.gov/compound/10476437

reference URL

retrieved

April 2018

InChIKey

JKQQZJHNUVDHKP-FQJIPJFPSA-N

2 references

31 January 2019

Flurogestone acetate (English)

stated in

ChEBI release 2020-09-01

CAS Registry Number

2529-45-5

2 references

https://commonchemistry.cas.org/detail?cas_rn=2529-45-5

6 April 2021

InChIKey

JKQQZJHNUVDHKP-FQJIPJFPSA-N

2 references

31 January 2019

Flurogestone acetate (English)

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

English Wikipedia

ChEBI ID

79932

mapping relation type

exact match

1 reference

stated in

ChEBI release 2019-10-02

SureChEMBL ID

SCHEMBL281972

1 reference

based on heuristic

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID4026210

0 references

EC number

219-776-9

1 reference