Amrubicin hydrochloride

Basic Information

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CAS Number

92470-31-0

Molecular Formula

C25H26ClNO9

Molecular Weight

519.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

SMILES

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CC(=O)C1(CC(C2=C(C1)C(=C3C(=C2O)C(=O)C4=CC=CC=C4C3=O)O)OC5CC(C(CO5)O)O)N.Cl

InChI

InChI=1S/C25H25NO9.ClH/c1-10(27)25(26)7-13-18(16(8-25)35-17-6-14(28)15(29)9-34-17)24(33)20-19(23(13)32)21(30)11-4-2-3-5-12(11)22(20)31;/h2-5,14-17,28-29,32-33H,6-9,26H2,1H3;1H/t14-,15+,16-,17-,25-;/m0./s1

InChIKey

BHMLHEQFWVQAJS-IITOGVPQSA-N

LogP

1.0535999999999994

Topological Polar Surface Area

176.61 Å²

Hydrogen Bond Donor/Acceptor

6 / 10

Complexity

881

Synonyms & References

English

(7S,9S)-9-acetyl-9-amino-7-(((2S,4S,5R)-4,5-dihydroxytetrahydro-2H-pyran-2-yl)oxy)-6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
CHEMBL481958
Amrubicin hydrochloride (JAN/USAN)
Amrubicin (hydrochloride)
Calsed (TN)
Amrubicin hydrochloride
(7S,9S)-9-acetyl-9-amino-7-[(2S,4S,5R)-4,5-dihydroxyoxan-2-yl]oxy-6,11-dihydroxy-8,10-dihydro-7H-tetracene-5,12-dione;hydrochloride
92470-31-0
Amrubicin HCl
SCHEMBL491010
SM5887
5,12-Naphthacenedione, 7,8,9,10-tetrahydro-9-acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-6,11-dihydroxy-, hydrochloride, (7S-cis)-
AMRUBICIN HYDROCHLORIDE [JAN]
(+)-(7S,9S)-9-Acetyl-9-amino-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)- 6,11-dihydroxy-7,8,9,10-tetrahydrotetracene-5,12-dione hydrochloride
110311-30-3
HY-B0067A
5,12-Naphthacenedione, 9-acetyl-7-((2-deoxy-beta-D-erythro-pentopyranosyl)oxy)-7,8,9,10-tetrahydro-6,11-dihydroxy-, hydrochloride, (7S,9S)-
SM 5887
AMRUBICIN HYDROCHLORIDE [MI]
D07100
3-Acetyl-3-amino-5,12-dihydroxy-6,11-dioxo-1,2,3,4,6,11-hexahydrotetracen-1-yl 2-deoxypentopyranoside--hydrogen chloride (1/1)
Amrubicin hydrochloride [USAN]
SM-5887
EUL6MP8FZW
AMRUBICIN HYDROCHLORIDE [WHO-DD]
(+)-(7S,9S)-9-ACETYL-9-AMINO-7-((2-DEOXY-.BETA.-D-ERYTHRO-PENTOPYRANOSYL)OXY)-6,11-DIHYDROXY-7,8,9,10-TETRAHYDROTETRACENE-5,12-DIONE HYDROCHLORIDE
Amrubicinhydrochloride
Calsed
UNII-EUL6MP8FZW
Q27277373
BHMLHEQFWVQAJS-IITOGVPQSA-N