Doxorubicinol

Base Information

Chemical Name:Doxorubicinol
CAS No.:54193-28-1
Deprecated CAS:111955-90-9,39004-85-8,276880-88-7
Molecular Formula:C27H31 N O11
Molecular Weight:545.543
Hs Code.:
UNII:HUH05KI4CF
DSSTox Substance ID:DTXSID70920620
Nikkaji Number:J85.476J
Wikidata:Q27280114
Metabolomics Workbench ID:49599
ChEMBL ID:CHEMBL3277946
Mol file:54193-28-1.mol

Synonyms:13-dihydrodoxorubicin;adriamycinol;adriamycinol hydrochloride;adriamycinol, 8S-(8alpha,8R*,10alpha)-isomer;doxorubicinol

Suppliers and Price of Doxorubicinol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Doxorubicinol(>90%)
25mg
$ 1455.00

TRC
Doxorubicinol(>90%)
2.5mg
$ 185.00

Biosynth Carbosynth
Doxorubicinol
5 mg
$ 515.00

Biosynth Carbosynth
Doxorubicinol
2 mg
$ 260.00

Biosynth Carbosynth
Doxorubicinol
1 mg
$ 162.50

Biosynth Carbosynth
Doxorubicinol
10 mg
$ 850.00

Biosynth Carbosynth
Doxorubicinol
25 mg
$ 1800.00

American Custom Chemicals Corporation
DOXORUBICINOL 95.00%
20MG
$ 2200.00

American Custom Chemicals Corporation
DOXORUBICINOL 95.00%
5MG
$ 720.42

American Custom Chemicals Corporation
DOXORUBICINOL 95.00%
10MG
$ 1260.00

Total 11 raw suppliers

Chemical Property of Doxorubicinol

Chemical Property:

Vapor Pressure:4.26E-29mmHg at 25°C
Boiling Point:828.7°Cat760mmHg
PKA:7.49±0.60(Predicted)
Flash Point:455°C
PSA：209.23000
Density:1.61g/cm³
LogP:0.49340
XLogP3:1.3
Hydrogen Bond Donor Count:7
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:5
Exact Mass:545.18971080
Heavy Atom Count:39
Complexity:935

Purity/Quality:

98%Min ^*data from raw suppliers

Doxorubicinol(>90%) ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1C(C(CC(O1)OC2CC(CC3=C2C(=C4C(=C3O)C(=O)C5=C(C4=O)C(=CC=C5)OC)O)(C(CO)O)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=C(C4=O)C(=CC=C5)OC)O)([C@H](CO)O)O)N)O

Technology Process of Doxorubicinol

There total 4 articles about Doxorubicinol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

: 23214-92-8
doxorubicin

: 111955-90-9,276880-88-7,39004-85-8
doxorubicinol

: 54193-28-1,111955-90-9,276880-88-7,39004-85-8
Doxorubicinol

Guidance literature:: With sodium tetrahydroborate; In methanol; Ambient temperature;

Reference yield:

: 23214-92-8
doxorubicin

: 54193-28-1,111955-90-9,276880-88-7,39004-85-8
Doxorubicinol

Guidance literature:: With recombinant human carbonyl reductase isoform 3 with amino-terminal His₆ tag; NADPH; In ethanol; at 37 ℃; for 0.5h; pH=7.4; Reagent/catalyst; Kinetics; aq. phosphate buffer; Enzymatic reaction;
DOI:10.1124/jpet.109.160614