Tubulozole Hydrochloride
Basic information
- CAS
83529-08-2- Standard SMILES
CCOC(=O)Nc1ccc(SC[C@@H]2CO[C@@](Cn3ccnc3)(c3ccc(Cl)cc3Cl)O2)cc1.Cl- InChIKey
HZQPPNNARUQMJA-NFJCIPKMSA-N- Molecular formula
- C23H24Cl3N3O4S
- Average molar mass
- 544.9 g/mol
- Monoisotopic mass
- 543.055311
Overview
See also: Tubulozole (has active moiety).
Names & identifiers
- Preferred name
- Tubulozole Hydrochloride
- IUPAC
- ethyl N-[4-[[(2S,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate;hydrochloride
Names & synonyms
Tubulozole hydrochlorideTubulozole HClUNII-UY2YYI9E3YUY2YYI9E3YTubulozole hydrochloride [USAN:INN]83529-08-2R-46846R 46,846TUBULOZOLE HYDROCHLORIDE [USAN]Tubulozole hydrochloride (USAN)Carbamic acid, (4-(((2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)phenyl)-, ethyl ester, monohydrochloride, cis-(+-)-Ethyl (+-)-cis-p-(((2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl)methyl)thio)carbanilate, monohydrochloride
Show more names
RefChem:192463Q27291323CARBAMIC ACID, (4-(((2-(2,4-DICHLOROPHENYL)-2-(1H-IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL)THIO)PHENYL)-, ETHYL ESTER, MONOHYDROCHLORIDE, CIS-(+/-)-ETHYL (+/-)-CIS-P-(((2-(2,4-DICHLOROPHENYL)-2-(IMIDAZOL-1-YLMETHYL)-1,3-DIOXOLAN-4-YL)METHYL)THIO)CARBANILATE, MONOHYDROCHLORIDE
Database identifiers
- CAS
83529-08-2- PubChem CID
- 6917818
- ChEMBL
CHEMBL2218912- UNII
- UY2YYI9E3Y
Properties
Computed structural properties
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 643
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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