N-Desmethyl Vinblastine

Basic Information

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CAS Number

18172-50-4

Molecular Formula

C45H56N4O9

Molecular Weight

796.9 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

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

Laboratory Chemicals Research Chemicals Biochemical Reagents

Basic Physical Properties

Melting Point

186-188°C

SMILES

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CCC1(CC2CC(C3=C(CCN(C2)C1)C4=CC=CC=C4N3)(C5=C(C=C6C(=C5)C78CCN9C7C(C=CC9)(C(C(C8N6)(C(=O)OC)O)OC(=O)C)CC)OC)C(=O)OC)O

InChI

InChI=1S/C45H56N4O9/c1-7-41(53)22-27-23-44(39(51)56-5,35-29(14-18-48(24-27)25-41)28-12-9-10-13-32(28)46-35)31-20-30-33(21-34(31)55-4)47-36-43(30)16-19-49-17-11-15-42(8-2,37(43)49)38(58-26(3)50)45(36,54)40(52)57-6/h9-13,15,20-21,27,36-38,46-47,53-54H,7-8,14,16-19,22-25H2,1-6H3/t27-,36+,37-,38+,41-,42+,43-,44-,45-/m0/s1

InChIKey

OBEIXXHHUOSBLA-UQUCNHJPSA-N

LogP

3.9666000000000037

Topological Polar Surface Area

162.89000000000001 Å²

Hydrogen Bond Donor/Acceptor

4 / 13

Complexity

1660

Synonyms & References

English

METHYL (3AR,4R,5S,5AR,10BS,13AR)-4-(ACETYLOXY)-3A-ETHYL-9-((5S,7R,9S)-5-ETHYL-5-HYDROXY-9-(METHOXYCARBONYL)-1,4,5,6,7,8,9,10-OCTAHYDRO-2H-3,7-METHANOAZACYCLOUNDECINO(5,4-B)INDOL-9-YL)-5-HYDROXY-8-METHOXY-3A,4,5,5A,6,11,12,13A-OCTAHYDRO-1H-INDOLIZINO(8,1-CD)CARBAZOLE-5-CARBOXYLATE
ER7ATN96R8
UNII-ER7ATN96R8
N-Demethylvincaleukoblastine
18172-50-4
methyl (1S,9R,10S,11R,12R,19R)-11-acetyloxy-12-ethyl-4-[(13S,15R,17S)-17-ethyl-17-hydroxy-13-methoxycarbonyl-1,11-diazatetracyclo[13.3.1.04,12.05,10]nonadeca-4(12),5,7,9-tetraen-13-yl]-10-hydroxy-5-methoxy-8,16-diazapentacyclo[10.6.1.01,9.02,7.016,19]nonadeca-2,4,6,13-tetraene-10-carboxylate
Vincaleukoblastine, 1-demethyl-
N-Desmethyl Vinblastine
N-Deformylvincristine
VINCRISTINE SULFATE IMPURITY C [EP IMPURITY]
BRN 4227361
1-Demethylvincaleukoblastine
N-Deformylleurocristine
N-Demethylvinblastine
Vincaleukoblastine,1-demethyl-
1-Demethyl-vincaleukoblastine
methyl (3aR,3a1R,4R,5S,5aR,10bS)-4-acetoxy-3a-ethyl-9-((5S,7R,9S)-5-ethyl-5-hydroxy-9-(methoxycarbonyl)-1,4,5,6,7,8,9,10-octahydro-2H-3,7-methano[1]azacycloundecino[5,4-b]indol-9-yl)-5-hydroxy-8-methoxy-3a,3a1,4,5,5a,6,11,12-octahydro-1H-indolizino[8,1-cd]carbazole-5-carboxylate

MDL Number

MFCD01675271

FAQ

What regulatory guidelines apply to N-Desmethyl Vinblastine (CAS: 18172-50-4)?

N-Desmethyl Vinblastine (CAS: 18172-50-4) falls under the GHS (Globally Harmonized System of Classification and Labelling of Chemicals) for carcinogenicity and has specific REACH (Registration, Evaluation, Authorisation and Restriction of Chemicals) regulations applicable in the European Union. In the United States, it is subject to FDA (Food and Drug Administration) and EPA (Environmental Protection Agency) guidelines, including those for the handling and disposal of hazardous substances.

Are there alternatives to N-Desmethyl Vinblastine (CAS: 18172-50-4) in synthesis?

There are several alternatives to N-Desmethyl Vinblastine (CAS: 18172-50-4) in synthesis, such as other vinca alkaloids like Vincristine and Vinorelbine. These alternatives can serve as effective substitutes depending on the specific application, such as in anticancer therapies.

What is the market or research trend for N-Desmethyl Vinblastine (CAS: 18172-50-4)?

The market for N-Desmethyl Vinblastine (CAS: 18172-50-4) is largely driven by its use in oncology, particularly in the treatment of hematological malignancies. Research is focusing on its combination therapies and understanding its mechanism of action to improve efficacy and reduce side effects. Market trends show steady demand, with ongoing studies exploring its role in targeted cancer treatments.

How should waste containing N-Desmethyl Vinblastine (CAS: 18172-50-4) be handled?

Waste containing N-Desmethyl Vinblastine (CAS: 18172-50-4) should be collected and disposed of in accordance with local and national regulations. It should be stored in a secure, labeled container and incinerated or disposed of by a licensed professional waste disposal service. Environmental protection precautions include proper containment to prevent leaks and ensure the waste is not released into the environment.