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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;hydrochloride

HCID 43261
NotesReactions
Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
60414-06-4
Standard SMILES
CN(C)CCCO[C@@H]1[C@H]2OC(C)(C)O[C@H]2O[C@@H]1C(O)CO.Cl
InChIKey
RJNRORZRFGUAKL-VPHFYIDPSA-N
Molecular formula
C14H28ClNO6
Average molar mass
341.83 g/mol
Monoisotopic mass
341.1605153

Names & identifiers

Preferred name
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;hydrochloride
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;hydrochloride
English name
Therafectin
Molecular formula
C14H27NO6.HCl
Molecular weight
341.83

Names & synonyms

SR-01000075667NCGC00095000-01CAS-60414-06-4SCHEMBL41474CHEMBL3184686Tox21_111382Tox21_111382_1LP00047NCGC00162052-051-[(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;hydrochlorideEU-0100047A 4687
Show more names
Amiprilose hydrochlorideTHERAFECTINAmiprilose HClTherafectin: Amiprilose hydrochloride3-O-[3-(Dimethylamino)propyl]-1,2-O-(1-methylethylidene)-alpha-D-glucofuranose hydrochloride(R)-1-((3aR,5R,6S,6aR)-6-(3-(dimethylamino)propoxy)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-5-yl)ethane-1,2-diol hydrochloride
SR-01000075667-1SR-01000075667-5(5xi)-3-O-[3-(Dimethylamino)propyl]-1,2-O-(1-methylethylidene)-alpha-D-xylo-hexofuranose--hydrogen chloride (1/1)1,2-O-Isopropylidene-3-O-[3'-(N,N-dimethylamino)propyl]-alpha-D-glucofuranose hydrochloride

Properties

Computed structural properties

Topological polar surface area
80.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
7
Rotatable bonds
7
Heavy atoms
22
Formal charge
0
Complexity
337

Physicochemical properties

Melting point
181 · 181-183°
FDA UNII
546994 B3VA · 546994B3VA
HS Code
2940000080 · 2940000080

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

hs_code
2940000080

Chemistry & industry

Applications

UsesAnti-inflammatory.

Suppliers19 total

南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [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]
南京世洲生物科技有限公司13675144456 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
Watson Biotechnology Co.,Ltd+86-18186686046 · [email protected]
深圳市丽晶生化科技有限公司0755-85201366 18938635012 · [email protected]
河南奥创化工有限公司+86-0371-63689365 +8618638391208 · [email protected]
TargetMol中国(陶术生物)4008200310 15002144251 · [email protected]
上海贝万塔生物科技有限公司

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes

Database identifiers

CAS
60414-06-4
PubChem CID
43261
DTXSID
DTXSID5045883
ChEMBL
CHEMBL3184686
021-67187366 19901745723 · [email protected]
重庆卡兰医药有限公司[email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
南京沃格尼化工有限公司15996452985 · [email protected]
上海甄准生物科技有限公司18019219489 18901678489 · [email protected]
CD Chemical Group Limited+86-13651442114 · [email protected]
山东子易医药有限公司13173053288 · [email protected]