Basic information
- CAS
464-85-7- Standard SMILES
C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@]12Nc3ccccc3[C@]1(O)CCO2- InChIKey
ALNKTVLUDWIWIH-HLQCWHFUSA-N- Molecular formula
- C19H24N2O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.18377801
Overview
quinamine has been reported in Cinchona calisaya, Ciliosemina pedunculata, and Cinchona pubescens with data available.
Names & identifiers
- Preferred name
- Quinamine
- IUPAC
- (3aS,8bR)-3a-[(2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol
- English name
- 8a-(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol
- Molecular formula
- C19H24N2O2
- Molecular weight
- 312.41
Names & synonyms
Quinamine464-85-752XI3663263aH-Furo(2,3-b)indol-3a-ol, 8a-((1S,2S,4S,5R)-5-ethenyl-1-azabicyclo(2.2.2)oct-2-yl)-2,3,8,8a-tetrahydro-, (3aR,8aS)-DTXSID10878434RefChem:871924DTXCID301016481207-357-33a-(5-ethenyl-1-azabicyclo(2.2.2)octan-2-yl)-2,4-dihydro-1H-furo(2,3-b)indol-8b-olQUINAMINE [MI]UNII-52XI366326EINECS 207-357-3
Show more names
3-EpiquinamineConchinaminEpiquinamine(3aS,8bR)-3a-[(2S,4S,5R)-5-vinylquinuclidin-2-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol8a-(5-vinyl-1-azabicyclo[2.2.2]oct-2-yl)-2,3,8,8a-tetrahydro-3aH-furo[2,3-b]indol-3a-ol(3aS,8bR)-3a-[(4S,5R,7S)-5-ethenyl-1-azabicyclo[2.2.2]octan-7-yl]-2,4-dihydro-1H-furo[2,3-b]indol-8b-ol3aH-Furo[2,3-b]indol-3a-ol, 8a-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-, (3aR,8aS)-
AKOS040762263FS-8766ALKALOID B FROM CINCHONA LEDGERIANAQ272610263AH-FURO(2,3-B)INDOL-3A-OL, 8A-(5-ETHENYL-1-AZABICYCLO(2.2.2)OCT-2-YL)-2,3,8,8A-TETRAHYDRO-, (1S-(1.ALPHA.,2.ALPHA.(3AS*,8AR*),4.ALPHA.,5.BETA.))-
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 44.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Melting point
- 185.5 ℃ · 185.5℃
- alpha
- 116 ° · D +116° or +104° (c = 0.5 in alcohol)
- Boiling point
- 452.33 °C · 452.33°C (rough estimate)
- Density
- 1.1209 · 1.1209 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
- pka
- 12.79 · 12.79±0.40(Predicted)
- form
- Solid
- color
- White to off-white
- FDA UNII
- 52 XI366326 · 52XI366326
- EPA Substance Registry System
- 3 aH-Furo[2,3-b]indol-3a-ol, · 3aH-Furo[2,3-b]indol-3a-ol, 8a-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-, (3aR,8aS)- (464-85-7)
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3aH-Furo[2,3-b]indol-3a-ol, 8a-[(1S,2S,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]oct-2-yl]-2,3,8,8a-tetrahydro-, (3aR,8aS)-: INACTIVE
Applications
UsesQuinamine is a Alkaloids product that can be isolated from the leaves of Remijia peruviana.[1].
Suppliers23 total
武汉众志诚生物技术有限公司13628624121 13628604890 · [email protected]
云南西力生物技术股份有限公司0871-65217109 · [email protected]
四川省维克奇生物科技有限公司028-81700200 18116577057 · [email protected]
雷丁试剂0510-85629785 18013409632 · [email protected]
上海永叶生物科技有限公司86-021-61559134 15921386130 · [email protected]
武汉天植生物技术有限公司18607101326 15172504745 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
上海源叶生物科技有限公司18916372613 · [email protected]
上海澄绍生物科技有限公司021-61847300 13341622919 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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