Compound Summary

IDARUBICIN
  Compound Information
 IDARUBICIN

Compound Name:

IDARUBICIN

Compound CID:

42890

Synonyms:

IDARUBICIN

58957-92-9

4-Demethoxydaunorubicin

4-Demethoxydaunomycin

Idarubicine INN-French

More...

Iupac Name:

(7S,9S)-9-acetyl-7-[(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

InChI:

InChI=1S/C26H27NO9/c1-10-21(29)15(27)7-17(35-10)36-16-9-26(34,11(2)28)8-14-18(16)25(33)20-19(24(14)32)22(30)12-5-3-4-6-13(12)23(20)31/h3-6,10,15-17,21,29,32-34H,7-9,27H2,1-2H3/t10-,15-,16-,17-,21+,26-/m0/s1

InChIKey:

XDXDZDZNSLXDNA-TZNDIEGXSA-N

Canonical Smiles:

CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O

Isomeric Smiles:

C[C@H]1[C@H]([C@H](C[C@@H](O1)O[C@H]2C[C@@](CC3=C2C(=C4C(=C3O)C(=O)C5=CC=CC=C5C4=O)O)(C(=O)C)O)N)O

Molecular Weight:

497.5

Molecular Formula:

C26H27NO9

  Compound Structure
 2D Structure:
 3D Structure:
  Computed Properties
 IDARUBICIN

Molecular Weight:

497.5

Molecular Formula:

C26H27NO9

Hydrogen Bond Donor Count:

5

Hydrogen Bond Acceptor Count:

10

Rotatable Bond Count:

3

Heavy Atom Count:

36

Complexity:

912

  Synonyms
 IDARUBICIN

IDARUBICIN IDARUBICIN

IDARUBICIN

58957-92-9

4-Demethoxydaunorubicin

4-Demethoxydaunomycin

Idarubicine INN-French

Idarubicinum INN-Latin

Idarubicina INN-Spanish

UNII-ZRP63D75JW

NSC 256439

NSC-256439

ZRP63D75JW

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

Idarubicina

CHEBI:42068

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

5,12-Naphthacenedione, 9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-7,8,9,10-tetrahydro-6,9,11-trihydroxy-, (7S-cis)-

Idarubicine

Idarubicinum

Idarubicin INN:BAN

Idarubicinhydrochloride

DM5

MLS001401448

Daunomycin, 4-demethoxy-

(1S,3S)-3-acetyl-3,5,12-trihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydronaphthacen-1-yl 3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranoside

(7S,9S)-9-acetyl-7-{(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy}-6,9,11-trihydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Idarubicin (INN)

Zavedos (TN)

CCRIS 5083

NCGC00093976-03

SMR000466355

4-DMD

SR-01000075934

I 1656

SCHEMBL3750

CHEMBL1117

Lopac0_000600

KBioSS_002388

Idarubicin hydrochloride, solid

cid_636362

GTPL7083

4-DEMETHOXY-DAUNORUBICIN

DTXSID7023142

IDARUBICIN(Hydrochloride form)

BDBM58490

BCPP000207

HMS2089D05

HMS3261H22

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

ZINC3920266

Tox21_500600

AKOS015895563

AC-9384

BCP9000773

CCG-204689

DB01177

LP00600

SDCCGSBI-0050582.P002

NCGC00093976-01

NCGC00093976-02

NCGC00093976-04

NCGC00093976-05

NCGC00093976-18

NCGC00261285-01

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-alpha-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-

EU-0100600

D08062

15158-EP2270008A1

15158-EP2272827A1

15158-EP2275420A1

15158-EP2277879A1

15158-EP2280012A2

15158-EP2281815A1

15158-EP2289892A1

15158-EP2292615A1

15158-EP2292617A1

15158-EP2295055A2

15158-EP2295416A2

15158-EP2295426A1

15158-EP2295427A1

15158-EP2298748A2

15158-EP2298764A1

15158-EP2298765A1

15158-EP2301928A1

15158-EP2301933A1

15158-EP2305640A2

15158-EP2305642A2

15158-EP2305671A1

15158-EP2308833A2

15158-EP2308855A1

15158-EP2311453A1

15158-EP2311808A1

15158-EP2311825A1

15158-EP2311827A1

15158-EP2311829A1

15158-EP2311842A2

15158-EP2316832A1

15158-EP2316833A1

AB00698511-06

AB00698511-08

AB00698511-09

AB00698511-10

AB00698511_11

957I929

A832088

A935911

Q1063862

SR-01000075934-1

BRD-K69650333-001-01-1

BRD-K69650333-001-02-9

BRD-K69650333-003-14-0

Idarubicin, United States Pharmacopeia (USP) Reference Standard

(7S,9S)-7-(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yloxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-7-(2R,4S,5S,6S)-4-azanyl-6-methyl-5-oxidanyl-oxan-2-yloxy-9-ethanoyl-6,9,11-tris(oxidanyl)-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

(7S,9S)-9-Acetyl-7-(((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

(7S,9S)-9-acetyl-7-((2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yloxy)-6,9,11-trihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-tetrahydropyran-2-yloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-quinone;hydrochloride

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

(7S,9S)-9-acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyl-2-oxanyloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride

4-Demethoxydaunorubicin|||IMI-30|||NSC-256439|||(7S,9S)-9-Acetyl-7-(2R,4S,5S,6S)-4-amino-5-hydroxy-6-methyloxan-2-yloxy-6,9,11-trihydroxy-8,10-dihydro-7H-tetracene-5,12-dione

5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-7-((3-amino-2,3,6-trideoxy-.alpha.-L-lyxo-hexopyranosyl)oxy)-6,9,11-trihydroxy-, (7S-cis)-

  Experimental Data
 IDARUBICIN

Species Dose Unit Control(Avg days) Treatment(Avg days) Avg/Med Lifespan Change(%) Control(Max days) Treatment(Max days) Max Lifespan Change(%) Significant Strain Gender PubMed Avg/Med Lifespan Change tab
Caenorhabditis elegans 33.000000000000000 umol/L 14.000000000000000 NS N2 24134630 Inactive
  Experimental Data Visualization
 IDARUBICIN

  Statistics Data
 IDARUBICIN

Species Avg/Med Lifespan Change(%) Max Lifespan Change(%) Count Reference Count Data point
Caenorhabditis elegans 14.000000000000000 1 1
  Statistics Data Visualization
 IDARUBICIN

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