Tubulozole
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Tubulozole
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CAS No:
84697-22-3
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Formula:
C23H23Cl2N3O4S
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Chemical Name:
Tubulozole
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Synonyms:
Carbamic acid,N-[4-[[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-,ethyl ester,rel-;Carbamic acid,[4-[[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-,ethyl ester,cis-(±)-;Carbamic acid,[4-[[[(2R,4R)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-,ethyl ester,rel-;Tubulozole;R 46846;Tubulozole C;cis-Tubulozole;NSC 376450;Carbamic acid,[4-[[[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl]thio]phenyl]-,ethyl ester,cis-;83086-67-3
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CAS No:
Description
(R,R)-tubulozole is an ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate in which both stereocentres have R-configuration. It is an enantiomer of a (S,S)-tubulozole.
Drug Information
Substances that inhibit or prevent the proliferation of NEOPLASMS. (See all compounds classified as Antineoplastic Agents.)|Substances that are destructive to protozoans. (See all compounds classified as Antiprotozoal Agents.)
ethyl (4-(2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethylthio)phenyl)carbamate
Computed Properties
Molecular Weight:508.4
XLogP3:5.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:507.0786328
Monoisotopic Mass:507.0786328
Topological Polar Surface Area:99.9
Heavy Atom Count:33
Complexity:643
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes