doxercalciferol (Q5303688)

Doxercalciferol (English)

(5Z,7E,22E)-(3S,5R,24S)-9,10-seco-5,7,10(19),22-ergostatetraen-3,24-diol

19 October 2016

stereoisomer of

2 references

inferred from InChIKey

(1R,3R,5Z,7E,22E)-9,10-Secoergosta-5,7,10,22-tetraene-1,3-diol

inferred from InChI

1 reference

9,10-Secoergosta-5,7,10(19),22-tetraene-1,3-diol, (1α,3β,5E,7E,22E)-

inferred from InChI

1 reference

inferred from InChI

chemical formula

C₂₈H₄₄O₂

1 reference

Doxercalciferol (English)

19 November 2016

canonical SMILES

CC(C)C(C)C=CC(C)C1CCC2C1(CCCC2=CC=C3CC(CC(C3=C)O)O)C

1 reference

Doxercalciferol (English)

19 November 2016

isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)C)[C@H]1CC[C@@H]\2[C@@]1(CCC/C2=C\C=C/3\C[C@H](C[C@@H](C3=C)O)O)C

1 reference

medical condition treated

Doxercalciferol (English)

19 November 2016

1 reference

14 February 2018

2 references

13 December 2016

Drug Indications Extracted from FAERS

secondary hyperparathyroidism

2 October 2018

1 reference

Drug Indications Extracted from FAERS

secondary hyperparathyroidism of renal origin

2 October 2018

start time

8 June 1999

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/3DIZ9LF5Y9

2 November 2018

reference URL

http://www.accessdata.fda.gov/drugsatfda_docs/label/2011/020862s030lbl.pdf

physically interacts with

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2790

bone density conservation agents

17 August 2016

subject has role

1 reference

InChI=1S/C28H44O2/c1-18(2)19(3)9-10-20(4)25-13-14-26-22(8-7-15-28(25,26)6)11-12-23-16-24(29)17-27(30)21(23)5/h9-12,18-20,24-27,29-30H,5,7-8,13-17H2,1-4,6H3/b10-9+,22-11+,23-12-/t19-,20+,24+,25+,26-,27-,28+/m0/s1

Medical Subject Headings

15 March 2018

1 reference

Medical Subject Headings

15 March 2018

Doxercalciferol

0 references

Identifiers

InChI

1 reference

Doxercalciferol (English)

HKXBNHCUPKIYDM-CGMHZMFXSA-N

19 November 2016

InChIKey

2 references

Doxercalciferol (English)

19 November 2016

ChEBI release 2020-09-01

CAS Registry Number

54573-75-0

2 references

Global Substance Registration System

UNII

3DIZ9LF5Y9

doxercalciferol (English)

HKXBNHCUPKIYDM-CGMHZMFXSA-N

19 November 2016

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=54573-75-0

1 reference

doxercalciferol (English)

19 November 2016

1 reference

Doxercalciferol (English)

19 November 2016

ChEBI ID

4712

mapping relation type

1 reference

DOXERCALCIFEROL (English)

19 November 2016

1 reference

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

DOXERCALCIFEROL (English)

19 November 2016

1 reference

1 reference

DSSTOX compound identifier

DTXCID9014214

0 references

EC number

643-005-9

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.170.997

27 December 2018

ECHA Substance Infocard ID

(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7α-methyl-1-[(1R,2E)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol (English)

quotation

CAS no.: 54573-75-0 (English)

100.170.997

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.170.997

27 December 2018

PesticideInfo chemical ID

(1R,3S,5Z)-4-Methylene-5-[(2E)-2-[(1R,3aS,7aR)-octahydro-7α-methyl-1-[(1R,2E)-1,4,5-trimethyl-2-hexen-1-yl]-4H-inden-4-ylidene]ethylidene]-1,3-cyclohexanediol (English)

quotation

CAS no.: 54573-75-0 (English)

PRI37

0 references

ATC code

H05BX03

0 references

Guide to Pharmacology Ligand ID

2790

1 reference