alfaxalone (Q3611058)

(3R,5S,8R,9R,10S,13S,14S,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-11-one

Alfaxalone (English)

3 October 2016

1 reference

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₁H₃₂O₃

1 reference

Alfaxalone (English)

19 November 2016

CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CCC(C4)O)C)C

1 reference

Alfaxalone (English)

19 November 2016

CC(=O)[C@H]1CC[C@@H]2[C@@]1(CC(=O)[C@H]3[C@H]2CC[C@@H]4[C@@]3(CC[C@H](C4)O)C)C

1 reference

InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1

Alfaxalone (English)

19 November 2016

1 reference

Medical Subject Headings

15 March 2018

Alphaxolone

0 references

Identifiers

InChI

1 reference

Alfaxalone (English)

19 November 2016

2 references

Alfaxalone (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

23930-19-0

2 references

Global Substance Registration System

https://commonchemistry.cas.org/detail?cas_rn=23930-19-0

alfaxalone (English)

19 November 2016

6 April 2021

1 reference

Alfaxalone (English)

19 November 2016

2 references

Alfaxalone (English)

19 November 2016

ChEBI ID

34531

mapping relation type

2 references

ALFAXALONE (English)

19 November 2016

International Chemical Identifier

InChI

InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1

1 reference

ALFAXALONE (English)

19 November 2016

2 references

inferred from InChIKey

splash10-0ac1-3930000000-0197081ff727780b04f8

1 reference

0 references

DSSTox substance ID

DTXSID9022576

2 references

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

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.405

27 December 2018

ECHA Substance Infocard ID

(1S,2S,5R,7S,10S,11S,14S,15S)-14-acetyl-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one (English)

quotation

CAS no.: 23930-19-0 (English)

100.164.405

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.164.405

27 December 2018

Guide to Pharmacology Ligand ID

(1S,2S,5R,7S,10S,11S,14S,15S)-14-acetyl-5-hydroxy-2,15-dimethyltetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadecan-17-one (English)

quotation

CAS no.: 23930-19-0 (English)

ATC code

N01AX05

0 references

5461

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

5461

Global Substance Registration System

alphaxalone (English)

19 November 2016

1 reference

Medical Subject Headings

14 March 2018

1 reference

alfaxalone (English)

19 November 2016

1 reference

2 references

Global Substance Registration System

alfaxalone (English)

19 November 2016

0 references

1 reference

1 reference