valrubicin (Q7912593)

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pharmaceutical drug

Valstar
(8S, 10S)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione 8²-valerate
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate

Language	Label	Description	Also known as
English	valrubicin	pharmaceutical drug	Valstar (8S, 10S)-8-glycoloyl-7,8,9,10-tetrahydro-6,8,11-trihydroxy-1-methoxy-10-[[2,3,6-trideoxy-3-(2,2,2-trifluoroacetamido)-α-L-lyxo-hexopyranosyl]oxy]-5,12-naphthacenedione 8²-valerate 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate

Statements

type of chemical entity

0 references

2-Oxo-2-[2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(2,2,2-trifluoro-1-hydroxyethylidene)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate

1 reference

based on heuristic

inferred from SMILES

1 reference

Valrubicin (English)

language of work or name

publication date

17 November 2015

chemical structure

Valrubicin.svg
1,995 × 1,333; 6 KB

0 references

723.213875 dalton

1 reference

language of work or name

Valrubicin (English)

21 September 2016

chemical formula

C₃₄H₃₆F₃NO₁₃

1 reference

language of work or name

Valrubicin (English)

21 September 2016

canonical SMILES

CCCCC(=O)OCC(=O)C1(CC(C2=C(C3=C(C(=C2C1)O)C(=O)C4=C(C3=O)C(=CC=C4)OC)O)OC5CC(C(C(O5)C)O)NC(=O)C(F)(F)F)O

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isomeric SMILES

CCCCC(=O)OCC(=O)[C@@]1(O)C[C@H](O[C@H]2C[C@H](NC(=O)C(F)(F)F)[C@H](O)[C@H](C)O2)C3=C(C1)C(O)=C4C(=O)C5=CC=CC(OC)=C5C(=O)C4=C3O

1 reference

Global Substance Registration System

15 February 2018

active ingredient in

1 reference

15 February 2018

medical condition treated

1 reference

language of work or name

13 December 2016

pregnancy category

US pregnancy category C

1 reference

imported from Wikimedia project

English Wikipedia

subject has role

topoisomerase inhibitor

1 reference

5 March 2018

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

topoisomerase II inhibitor

1 reference

Medical Subject Headings

MeSH descriptor ID

15 March 2018

NCI Thesaurus ID

C1340

1 reference

Global Substance Registration System

15 February 2018

Commons category

Valrubicin

0 references

Identifiers

InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1

1 reference

Valrubicin (English)

23 January 2019

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

2 references

Global Substance Registration System

15 February 2018

ChEBI release 2020-09-01

CAS Registry Number

3 references

language of work or name

Valrubicin (English)

publication date

17 November 2015

Global Substance Registration System

15 February 2018

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

CAS Common Chemistry

8 April 2021

https://commonchemistry.cas.org/detail?cas_rn=56124-62-0

1 reference

language of work or name

2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate (English)

21 September 2016

1 reference

matched by identifier from

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

mapping relation type

2 references

ChEBI release 2019-10-02

matched by identifier from

International Chemical Identifier

InChI=1S/C34H36F3NO13/c1-4-5-9-21(40)49-13-20(39)33(47)11-16-24(19(12-33)51-22-10-17(27(41)14(2)50-22)38-32(46)34(35,36)37)31(45)26-25(29(16)43)28(42)15-7-6-8-18(48-3)23(15)30(26)44/h6-8,14,17,19,22,27,41,43,45,47H,4-5,9-13H2,1-3H3,(H,38,46)/t14-,17-,19-,22-,27+,33-/m0/s1

1 reference

language of work or name

CHEMBL20225 (English)

21 September 2016

2 references

based on heuristic

inferred from InChIKey

matched by identifier from

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

UniChem compound ID

1 reference

1 reference

Hazardous Substances Data Bank

publication date

28 October 2019

VALRUBICIN (English)

10 May 2021

DSSTox substance ID

2 references

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

matched by identifier from

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

DSSTOX compound identifier

0 references

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(2Scis)-2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-alpha-L-lyxo-hexopyranosyl]oxyl]-2-naphtacenyl]-2-oxoethyl pentanoate (English)

CAS no.: 56124-62-0 (English)

ECHA Substance Infocard ID

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

27 December 2018

(2Scis)-2-[1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4[[2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-alpha-L-lyxo-hexopyranosyl]oxyl]-2-naphtacenyl]-2-oxoethyl pentanoate (English)

CAS no.: 56124-62-0 (English)

1 reference

language of work or name

Valrubicin (English)

publication date

17 November 2015

MeSH descriptor ID

1 reference

Medical Subject Headings

MeSH descriptor ID

14 March 2018

1 reference

Global Substance Registration System

15 February 2018

1 reference

matched by identifier from

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

3 references

language of work or name

VALRUBICIN (English)

19 January 2016

Global Substance Registration System

15 February 2018

matched by identifier from

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

1 reference

language of work or name

VALRUBICIN (English)

19 January 2016

Probes And Drugs ID

0 references

1 reference

0 references

Microsoft Academic ID

0 references

Sitelinks

Wikipedia(5 entries)

enwiki Valrubicin
rowiki Valrubicină
shwiki Valrubicin
srwiki Valrubicin
viwiki Valrubicin

Wikibooks(0 entries)

Wikinews(0 entries)

Wikiquote(0 entries)

Wikisource(0 entries)

Wikiversity(0 entries)

Wikivoyage(0 entries)

Wiktionary(0 entries)

Multilingual sites(1 entry)

commonswiki Category:Valrubicin

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