Basic information
- CAS
56824-20-5- Standard SMILES
CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C(O)CO- InChIKey
YXBQLONCIPUQKO-ZLOUSURVSA-N- Molecular formula
- C14H27NO6
- Average molar mass
- 305.37 g/mol
- Monoisotopic mass
- 305.18383758
Names & identifiers
- Preferred name
- Sdccgsbi-0050036.P004
- IUPAC
- 1-[(3aR,5R,6S,6aR)-6-[3-(dimethylamino)propoxy]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]ethane-1,2-diol
- English name
- Amiprilose
- Molecular formula
- C14H27NO6
- Molecular weight
- 305.37
Names & synonyms
Lopac0_000047SCHEMBL35274CHEMBL3303113AKOS025311250CCG-204143SDCCGSBI-0050036.P004NCGC00162052-02SBI-0050036.P003(5xi)-3-O-[3-(Dimethylamino)propyl]-1,2-O-(1-methylethylidene)-alpha-D-xylo-hexofuranoseSM-1213amiprilose3-O-[3-(Dimethylamino)propyl]-1-O,2-O-isopropylidene-α-D-glucofuranose
Show more names
1,2-O-Isopropylidene-3-O-[3 -(N,N-dimethylamino)propyl]-a-D-glucofuranoseα-D-Glucofuranose, 3-O-[3-(dimethylamino)propyl]-1,2-O-(1-methylethylidene)-3-O-[3-(Dimethylamino)propyl]-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose1,2-o-isopropylidene-3-o-[3'-(n,n-dimethylamino)propyl]-α-d-glucofuranose hydrochloride1,2-O-ISOPROPYLIDENE-3-O-[3'-(N,N-DIMETHYLAMINO)-PROPYL]-ALPHA-D-GLUCOFURANOSE HYDROCHLORIDE
Database identifiers
- CAS
56824-20-5- PubChem CID
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 337
Physicochemical properties
- Boiling point
- 431 · 431.0±45.0 °C(Predicted)
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- refractive index
- 25 · n25 1.4687
- storage temp.
- 2 · 2-8°C
- pka
- 13.51 · 13.51±0.20(Predicted)
- FDA UNII
- 0 FG5X68QT · S0FG5X68QT
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H335-H319-H331-H311
- Precautionary statements
- 264 · P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
- Hazard Codes
- T
- Risk Statements
- 23 · 23/24/25-36/37/38
- Safety Statements
- 22 · 22-26-36-45
- WGK Germany
- 3 · 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- 3
- risk_code
- 23/24/25-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 22-26-36-45
- Hazard statements
- H301-H315-H335-H319-H331-H311
- Precautionary statements
- P264-P270-P301+P310-P321-P330-P405-P501-P264-P280-P302+P352-P321-P332+P313-P362-P280-P302+P352-P312-P322-P361-P363-P405-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P311-P321-P403+P233-P405-P501
Chemistry & industry
Applications
UsesAnti-inflammatory.
Suppliers11 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
杭州璟皓生物科技有限公司（原河南辛迪加生物）17513242016 · [email protected]
上海睿升化工科技有限公司+86-021-50935922
上海汇凯化学科技有限公司021-61995394 18916691159 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
重庆卡兰医药有限公司[email protected]
上海阿摩尔生物科技有限公司13370042665 18916960931 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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