Wikidata

(Q7912593)

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
In more languages

Statements

chemical structure
Valrubicin.svg
1,995 × 1,333; 6 KB
0 references
mass
723.213875 dalton
1 reference
stated in
PubChem
PubChem CID
41744
language of work or name
English
title
Valrubicin (English)
retrieved
21 September 2016
chemical formula
C₃₄H₃₆F₃NO₁₃
1 reference
stated in
PubChem
PubChem CID
41744
language of work or name
English
title
Valrubicin (English)
retrieved
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
0 references
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
stated in
Global Substance Registration System
UNII
2C6NUM6878
retrieved
15 February 2018
Commons category
Valrubicin
0 references

Identifiers

ChemSpider ID
38088
1 reference
stated in
ChemSpider
ChemSpider ID
38088
language of work or name
English
title
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)
retrieved
21 September 2016
PubChem CID
454216
0 references
HSDB ID
7288
1 reference
stated in
Hazardous Substances Data Bank
HSDB ID
7288
publication date
28 October 2019
title
VALRUBICIN (English)
retrieved
10 May 2021
NSC number
246131
0 references
EC number
680-664-1
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.205.793
retrieved
27 December 2018
title
(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)
quotation
CAS no.: 56124-62-0 (English)
ECHA Substance Infocard ID
100.205.793
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.205.793
retrieved
27 December 2018
title
(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)
quotation
CAS no.: 56124-62-0 (English)
Freebase ID
/m/07cqhf
0 references
 
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