maxacalcitol (Q27083635)

Maxacalcitol (English)

(5Z,7E)-(1S,3R,20R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

19 October 2016

stereoisomer of

2 references

based on heuristic

inferred from InChIKey

based on heuristic

inferred from InChI

(5Z,7E)-(1R,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol

1 reference

based on heuristic

inferred from InChI

chemical formula

C₂₆H₄₂O₄

1 reference

Maxacalcitol (English)

19 October 2016

canonical SMILES

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

1 reference

Maxacalcitol (English)

19 October 2016

isomeric SMILES

C[C@@H]([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)OCCC(C)(C)O

1 reference

Maxacalcitol (English)

medical condition treated

19 October 2016

secondary hyperparathyroidism

approved by

Food and Drug Administration

1 reference

Inxight: Drugs Database

https://drugs.ncats.io/drug/N2UJM5NBF6

2 November 2018

reference URL

https://chugai-pharm.jp/hc/ss/pr/drug/oxa_amp0100/shiori/PDF/en/oxa_s_en.pdf

subject has role

antineoplastic

1 reference

15 March 2018

1 reference

15 March 2018

1 reference

MeSH descriptor ID

C051883

InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1

15 March 2018

Identifiers

InChI

1 reference

Maxacalcitol (English)

19 October 2016

2 references

Maxacalcitol (English)

19 October 2016

ChEBI release 2020-09-01

CAS Registry Number

103909-75-7

2 references

Global Substance Registration System

UNII

N2UJM5NBF6

maxacalcitol (English)

19 October 2016

https://commonchemistry.cas.org/detail?cas_rn=103909-75-7

9 April 2021

1 reference

Maxacalcitol (English)

19 October 2016

1 reference

Maxacalcitol (English)

19 October 2016

ChEBI ID

31801

mapping relation type

exact match

2 references

matched by identifier from

ChEBI release 2019-10-02

International Chemical Identifier

InChI

InChI=1S/C26H42O4/c1-17-20(15-21(27)16-24(17)28)9-8-19-7-6-12-26(5)22(10-11-23(19)26)18(2)30-14-13-25(3,4)29/h8-9,18,21-24,27-29H,1,6-7,10-16H2,2-5H3/b19-8+,20-9-/t18-,21+,22+,23-,24-,26+/m0/s1

1 reference

matched by identifier from

MAXACALCITOL (English)

19 October 2016

2 references

inferred from InChIKey

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

1 reference

1 reference

DSSTOX compound identifier

DTXCID1028574

0 references

EC number

686-295-2

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.212.050

27 December 2018

ECHA Substance Infocard ID

[No public or meaningful name is available] (English)

quotation

CAS no.: 103909-75-7 (English)

100.212.050

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.212.050

27 December 2018

Guide to Pharmacology Ligand ID

[No public or meaningful name is available] (English)

quotation

CAS no.: 103909-75-7 (English)

2784

1 reference

IUPHAR/BPS Guide to PHARMACOLOGY

Guide to Pharmacology Ligand ID

2784

maxacalcitol (English)

19 October 2016

1 reference

14 March 2018

1 reference

Global Substance Registration System

Maxacalcitol (English)

3 July 2018

2 references

UNII

N2UJM5NBF6

maxacalcitol (English)

matched by identifier from

19 October 2016

http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download

0 references

1 reference

1 reference

30 June 2018

0 references

1 reference

3B0T (English)