56124-62-0 Valrubicin - Watsonnoke Scientific Ltd

Identification
Properties
Safety Data
Specifications & Other Information
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Identification

CAS Number

56124-62-0

Name

Valrubicin

Synonyms

(2S-cis)-Pentanoic Acid 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)-a-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl Ester
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethyl valerate [ACD/IUPAC Name]
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl valerate
2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-tridesoxy-3-[(trifluoracetyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tetracenyl]ethylvalerat [German] [ACD/IUPAC Name]
56124-62-0 [RN]
N-Trifluoroacetyladriamycin 14-valerate
N-Trifluoroacetyldoxorubicin 14-valerate
Pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl
ester [ACD/Index Name]
pentanoic acid, 2-[(2S,4S)-1,2,3,4,6,11-hexahydro-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-[[2,3,6-trideoxy-3-[(2,2,2-trifluoroacetyl)amino]-α-L-lyxo-hexopyranosyl]oxy]-2-naphthacenyl]-2-oxoethyl ester
Valérate de 2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-méthoxy-6,11-dioxo-4-({2,3,6-tridésoxy-3-[(2,2,2-trifluoroacétyl)amino]-α-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydro-2-tétracényl]éthyle [French] [ACD/IUPAC Name]
Valrubicin [INN] [USP] [Wiki]
valrubicina [Spanish] [INN]
valrubicine [French] [INN]
valrubicinum [Latin] [INN]
Valstar [Trade name]
(2S-cis)-Pentanoic acid, 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)-α-L-lyxo-hexopyranosyl)oxy)-2-naphthacenyl)-2-oxoethyl ester
[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
[2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[(2R,4S,5S,6S)-5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]tetrahydropyran-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl] pentanoate
[2-Oxo-2-[(2S,4S)-2,5,12-trihydroxy-4-[5-hydroxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl]oxy-7-methoxy-6,11-dioxo-3,4-dihydro-1H-tetracen-2-yl]ethyl]pentanoate
[56124-62-0]
2-oxo-2-[(2S,4S)-2,5,12-trihydroxy-7-methoxy-6,11-dioxo-4-({2,3,6-trideoxy-3-[(trifluoroacetyl)amino]-a-L-lyxo-hexopyranosyl}oxy)-1,2,3,4,6,11-hexahydrotetracen-2-yl]ethyl pentanoate
AD32
Antibiotic AD 32
MFCD01939322
N-Trifluoroacetyladriamycin-14-valerate
UNII-2C6NUM6878
Valtaxin

Molecular Structure

Structure of Valrubicin CAS 56124-62-0

SMILES

CCCCC(=O)OCC(=O)[C@@]1(Cc2c(c(c3c(c2O)C(=O)c4cccc(c4C3=O)OC)O)[[email protected]](C1)O[[email protected]]5C[C@@H]([C@@H]([C@@H](O5)C)O)NC(=O)C(F)(F)F)O

StdInChI

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

StdInChIKey

ZOCKGBMQLCSHFP-KQRAQHLDSA-N

Molecular Formula

C34H36F3NO13

Molecular Weight

723.64

Properties

Appearance

White powder

Specifications and Other Information of Our Valrubicin CAS 56124-62-0

Standard

Enterprise standard

Identification Methods

HNMR/HPLC

Purity

98%min

Storage

Under the room temperature and away from light

Application

Used as the pharmaceutical API

Valrubicin CAS 56124-62-0