Basic information
- CAS
1461750-27-5- Standard SMILES
CCOc1ccc(Cc2cc([C@@H]3O[C@H](C)[C@@H](O)[C@H](O)[C@H]3O)ccc2Cl)cc1- InChIKey
YCEUTZKYUQXUCF-JLBFBPAZSA-N- Molecular formula
- C21H25ClO5
- Average molar mass
- 392.9 g/mol
- Monoisotopic mass
- 392.1390516
Names & identifiers
- Preferred name
- (1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-deoxy-D-glucitol
- IUPAC
- (2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxane-3,4,5-triol
- English name
- D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-deoxy-, (1S)-
- Molecular formula
- C21H25ClO5
- Molecular weight
- 392.88
Names & synonyms
1461750-27-5(1S)-1,5-Anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-deoxy-D-glucitol(1S)-1,5-Anhydro-1-C-(4-chloro-3-((4-ethoxyphenyl)methyl)phenyl)-6-deoxy-D-glucitolRefChem:205114TianagliflozinCHEMBL3125150orb1699133SCHEMBL9611971DTXSID101130421BDBM50449244AKOS040749647DA-68181
Show more names
D-Glucitol, 1,5-anhydro-1-C-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-deoxy-, (1S)-
HY-116223CS-0064411T289711-[4-chloro-3-(4-ethoxybenzyl)phenyl]-1,6-dideoxy-beta-d-glucopyranose(1S)-1,5-Anhydro-1-{4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl}-6-deoxy-D-glucitol(2S,3R,4S,5S,6R)-2-[4-chloro-3-[(4-ethoxyphenyl)methyl]phenyl]-6-methyloxane-3,4,5-triol
Database identifiers
- CAS
1461750-27-5- PubChem CID
- 67891757
- DTXSID
DTXSID101130421
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 79.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 456
Physicochemical properties
- Boiling point
- 561.4 · 561.4±50.0 °C(Predicted)
- Density
- 1.29 · 1.290±0.06 g/cm3(Predicted)
- pka
- 13.36 · 13.36±0.70(Predicted)
- form
- Solid
- color
- White to off-white
Chemistry & industry
Applications
DescriptionTianagliflozin is a sodium/glucose cotransporter 2 (SGLT-2) inhibitor potentially for the treatment of type 2 diabetes.
UsesTianagliflozin is a sodium/glucose cotransporter 2 (SGLT-2) inhibitor with potential for investigation in type 2 diabetes[1].
Suppliers3 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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