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Tauromustine

Tauromustine structure

CAS No:
85977-49-7
Formula:
C7H15ClN4O4S
Chemical Name:
Tauromustine
Synonyms:
Ethanesulfonamide,2-[[[(2-chloroethyl)nitrosoamino]carbonyl]amino]-N,N-dimethyl-;2-[[[(2-Chloroethyl)nitrosoamino]carbonyl]amino]-N,N-dimethylethanesulfonamide;TCNU;Tauromustine;LS 2667;NSC 608678;1-(2-Chloroethyl)-3-[2-(dimethylsulfamoyl)ethyl]-1-nitrosourea
Categories:
Active Pharmaceutical Ingredients > Antineoplastic Agents

Description

Tauromustine is a water-soluble taurine-based nitrosourea with potential antineoplastic activity. Tauromustine alkylates DNA and causes DNA cross links independent of cell cycle, thereby resulting in disruption of DNA function and induction of apoptosis.

Tauromustine Basic Attributes

Molecular Weight：

286.731

Exact Mass：

286.74

UNII：

511F69K76Y

NSC Number：

608678

DSSTox ID：

DTXSID20235317

NCI Thesaurus Code：

C954

Characteristics

PSA：

108

XLogP3：

1.09480

Density：

1.44g/cm3

Refractive Index：

1.562

Drug Information

MeSH：

Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)

Metabolism/Metabolites：

Tauromustine has known human metabolites that include Ethanesulfonamide, 2-((((2-chloroethyl)amino)carbonyl)amino)-N,N-dimethyl- and Ethanesulfonamide, 2-((((2-chloroethyl)nitrosoamino)carbonyl)amino)-N-methyl-.

MeSH Entry Terms：

1-(2-chloroethyl)-3-(2-(dimethylaminosulfonyl)ethyl)-1-nitrosourea

Tauromustine Use and Manufacturing

Tauromustine is an investigational drug responses observed in malignant melanoma

Computed Properties

Molecular Weight:286.74
XLogP3:0.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:6
Exact Mass:286.0502538
Monoisotopic Mass:286.0502538
Topological Polar Surface Area:108
Heavy Atom Count:17
Complexity:353
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes