Haletazole tartrate
Basic information
- CAS
10390-80-4- Standard SMILES
CCN(CC)CCOc1ccc(-c2nc3cc(Cl)ccc3s2)cc1.O=C(O)[C@H](O)[C@@H](O)C(=O)O- InChIKey
NKAVKFHIYALHRM-LREBCSMRSA-N- Molecular formula
- C23H27ClN2O7S
- Average molar mass
- 511 g/mol
- Monoisotopic mass
- 510.1227501
Names & identifiers
- Preferred name
- Haletazole tartrate
- IUPAC
- 2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine;(2R,3R)-2,3-dihydroxybutanedioic acid
- English name
- (2R,3R)-2,3-dihydroxybutanedioic acid
- Molecular formula
- C23H27ClN2O7S
- Molecular weight
- 510.99
Names & synonyms
haletazole tartrateEpisol tartrate10390-80-4K9P885JEKKUNII-K9P885JEKK5-Chloro-2-(4-(2-(diethylamino)ethoxy)phenyl)benzothiazole tartrateBENZOTHIAZOLE, 5-CHLORO-2-(p-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, TARTRATEBENZOTHIAZOLE, 5-CHLORO-2-(P-(2-(DIETHYLAMINO)ETHOXY)PHENYL)-, TARTRATE (1:1)RefChem:201135DTXSID909086622-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethanamine;(2R,3R)-2,3-dihydroxybutanedioic acidQ27282135
Show more names
2-[4-(5-chlorobenzothiazol-2-yl)phenoxy]-N,N-diethyl-ethanamine
(2R,3R)-2,3-Dihydroxybutanedioic acid--2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethan-1-amine (1/1)2,3-Dihydroxybutanedioic acid--2-[4-(5-chloro-1,3-benzothiazol-2-yl)phenoxy]-N,N-diethylethan-1-amine (1/1)
Database identifiers
- CAS
10390-80-4- PubChem CID
- 25224
- DTXSID
DTXSID90908662- UNII
- K9P885JEKK
Properties
Computed structural properties
- Topological polar surface area
- 169 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 508
Physicochemical properties
- FDA UNII
- 9 P885JEKK · K9P885JEKK
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Related reactions
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Compound notes
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