(Q5254241)

DELMADINONE (English)

18 November 2016

chemical formula

C₂₁H₂₅ClO₃

1 reference

DELMADINONE (English)

18 November 2016

canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)C=CC34C)Cl)C)O

1 reference

DELMADINONE (English)

18 November 2016

isomeric SMILES

CC(=O)[C@]1(CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2C=C(C4=CC(=O)C=C[C@]34C)Cl)C)O

1 reference

InChI=1S/C21H25ClO3/c1-12(23)21(25)9-6-16-14-11-18(22)17-10-13(24)4-7-19(17,2)15(14)5-8-20(16,21)3/h4,7,10-11,14-16,25H,5-6,8-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1

DELMADINONE (English)

18 November 2016

1 reference

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Delmadinone

0 references

Identifiers

InChI

1 reference

DELMADINONE (English)

18 November 2016

1 reference

Global Substance Registration System

DELMADINONE (English)

18 November 2016

2 references

UNII

WFF40U3U3O

delmadinone (English)

18 November 2016

https://commonchemistry.cas.org/detail?cas_rn=15262-77-8

9 April 2021

1 reference

Delmadinone (English)

18 November 2016

2 references

DELMADINONE (English)

18 November 2016

SureChEMBL ID

SCHEMBL144012

2 references

based on heuristic

inferred from InChIKey

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

1 reference

2 references

DSSTOX compound identifier

DTXCID0087579

0 references

EC number

239-306-6

1 reference

stated in

Global Substance Registration System

UNII

WFF40U3U3O

delmadinone (English)

ECHA Substance Infocard ID

18 November 2016

100.035.717

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.035.717

27 December 2018

Global Substance Registration System

Delmadinone (English)

quotation

CAS no.: 15262-77-8 (English)

MeSH descriptor ID

C005928

1 reference

stated in

Medical Subject Headings

14 March 2018

2 references

UNII

WFF40U3U3O

delmadinone (English)

18 November 2016