chlormadinone (Q905012)

Chlormadinone (English)

18 November 2016

chemical formula

C₂₁H₂₇ClO₃

1 reference

Chlormadinone (English)

18 November 2016

canonical SMILES

CC(=O)C1(CCC2C1(CCC3C2C=C(C4=CC(=O)CCC34C)Cl)C)O

1 reference

Chlormadinone (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)CC[C@]34C)Cl)C)O

1 reference

Chlormadinone (English)

InChI=1S/C21H27ClO3/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/h10-11,14-16,25H,4-9H2,1-3H3/t14-,15+,16+,19-,20+,21+/m1/s1

18 November 2016

Commons category

Chlormadinone

0 references

Identifiers

InChI

1 reference

Chlormadinone (English)

VUHJZBBCZGVNDZ-TTYLFXKOSA-N

18 November 2016

InChIKey

1 reference

Chlormadinone (English)

18 November 2016

2 references

chlormadinone (English)

VUHJZBBCZGVNDZ-TTYLFXKOSA-N

18 November 2016

InChIKey

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1961-77-9

1 reference

Chlormadinone (English)

18 November 2016

1 reference

Chlormadinone (English)

18 November 2016

1 reference

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

CHLORMADINONE (English)

18 November 2016

1 reference

inferred from InChIKey

1 reference

1 reference

DSSTOX compound identifier

DTXCID702796

0 references

EC number

217-802-3

1 reference

stated in

chlormadinone (English)

ECHA Substance Infocard ID

18 November 2016

100.016.185

1 reference

stated in

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.016.185

27 December 2018

AICS Chemical ID (BEING DELETED)

Chlormadinone (English)

quotation

CAS no.: 1961-77-9 (English)

0 references

1 reference

chlormadinone (English)

18 November 2016

1 reference

6 July 2021

CAS no.: 1961-77-9 (English)

Chlormadinone (English)

1 reference

stated in