acetyldigitoxin (Q4673299)

DrugBank

17 November 2015

Acetyldigitoxin.png
2,709 × 1,205; 44 KB

0 references

mass

806.445257 dalton

1 reference

HPMZBILYSWLILX-PWXOEXGASA-N

AC1O44LA (English)

21 September 2016

1 reference

based on heuristic

inferred from InChI

chemical formula

C₄₃H₆₆O₁₄

1 reference

AC1O44LA (English)

21 September 2016

CC1C(C(CC(O1)OC2C(OC(CC2O)OC3C(OC(CC3O)OC4CCC5(C(C4)CCC6C5CCC7(C6(CCC7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O

1 reference

https://www.whocc.no/atc_ddd_index/?code=C01AA01

AC1O44LA (English)

21 September 2016

C[C@@H]1[C@H]([C@H](C[C@@H](O1)O[C@@H]2[C@H](O[C@H](C[C@@H]2O)O[C@@H]3[C@H](O[C@H](C[C@@H]3O)O[C@H]4CC[C@]5([C@@H](C4)CC[C@@H]6[C@@H]5CC[C@]7([C@@]6(CC[C@@H]7C8=CC(=O)OC8)O)C)C)C)C)OC(=O)C)O

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defined daily dose

0.2 milligram

route of administration

oral administration

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reference URL

World Health Organisation international non-proprietary name

Acetyldigitoxin (English)

1 reference

Long-Term Cultivation of Digitalis lanata Clones Propagated in Vitro: Cardenolide Content of the Regenerated Plants1.

Acetyldigitoxin (English)

19 January 2016

3 references

Quantitative determination of cardiac glycosides in Digitalis lanata leaves by reversed-phase thin-layer chromatography

Cardenolide and Neutral Lipid Biosynthesis from Malonate in Digitalis lanata

Digitalis grandiflora

1 reference

Acetyl coenzyme A: Digitoxin 15′-O-acetyltransferase from Digitalis plants and suspension cultures

subject has role

antiarrhythmic agent

1 reference

Medical Subject Headings

15 March 2018

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Medical Subject Headings

15 March 2018

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Medical Subject Headings

MeSH descriptor ID

D000112

InChI=1S/C43H66O14/c1-21-38(48)33(54-24(4)44)19-37(51-21)57-40-23(3)53-36(18-32(40)46)56-39-22(2)52-35(17-31(39)45)55-27-9-12-41(5)26(16-27)7-8-30-29(41)10-13-42(6)28(11-14-43(30,42)49)25-15-34(47)50-20-25/h15,21-23,26-33,35-40,45-46,48-49H,7-14,16-20H2,1-6H3/t21-,22-,23-,26-,27+,28-,29+,30-,31+,32+,33+,35+,36+,37+,38-,39-,40-,41+,42-,43+/m1/s1

15 March 2018

Identifiers

InChI

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InChIKey

HPMZBILYSWLILX-UMDUKNJSSA-N

1 reference

HPMZBILYSWLILX-UMDUKNJSSA-N

ChEBI release 2020-09-01

CAS Registry Number

1111-39-3

1 reference

InChIKey

10 April 2021

https://commonchemistry.cas.org/detail?cas_rn=1111-39-3

1 reference

(3beta,5beta,9xi)-3-{[3-O-Acetyl-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl-(1->4)-2,6-dideoxy-beta-D-ribo-hexopyranosyl]oxy}-14-hydroxycard-20(22)-enolide (English)

21 September 2016

PubChem CID

5284512

0 references

Reaxys registry number

77291

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ChEBI ID

53773

mapping relation type

1 reference

Acetyldigitoxin (English)

19 January 2016

1 reference

DSSTOX compound identifier

Acetyldigitoxin (English)

19 January 2016

1 reference

inferred from InChIKey

1 reference

0 references

DTXCID102551

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EC number

246-942-8

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.042.660

27 December 2018

ECHA Substance Infocard ID

Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-d-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-d-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, monoacetate, (3β,5β)- (English)

quotation

CAS no.: 25395-32-8 (English)

100.042.660

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.042.660

27 December 2018

Card-20(22)-enolide, 3-[(O-2,6-dideoxy-β-d-ribo-hexopyranosyl-(1→4)-O-2,6-dideoxy-β-d-ribo-hexopyranosyl-(1→4)-2,6-dideoxy-β-d-ribo-hexopyranosyl)oxy]-14-hydroxy-, monoacetate, (3β,5β)- (English)

quotation

CAS no.: 25395-32-8 (English)

1 reference