(8alpha,9R)-10,11-Dihydrocinchonan-6',9-diol
Basic information
- CAS
5962-19-6- Standard SMILES
CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc12- InChIKey
RASAUPYEBCYZRS-BIPCEHGGSA-N- Molecular formula
- C19H24N2O2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.18377801
Overview
10,11-Dihydrocinchonan-6',9-diol has been reported in Tinadendron noumeanum with data available.
Names & identifiers
- Preferred name
- (8alpha,9R)-10,11-Dihydrocinchonan-6',9-diol
- IUPAC
- 4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol
- English name
- 6'-hydroxydihydrocinchonidine
- Molecular formula
- C19H24N2O2
- Molecular weight
- 312.41
Names & synonyms
6'-Hydroxydihydrocinchonidine5962-19-66'-Hdhccd(8alpha,9R)-10,11-dihydrocinchonan-6',9-diol4-[(R)-[(2S,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-hydroxymethyl]quinolin-6-ol4-((R)-((2S,4S,5R)-5-ethyl-1-azabicyclo(2.2.2)octan-2-yl)-hydroxymethyl)quinolin-6-olRefChem:405456cinchonan-6',9-diol, 10,11-dihydro-, (8 alpha,9R)-Cinchonan-6',9-diol, 10,11-dihydro-, (8alpha,9R)-CHEMBL532678orb1819080DTXSID80975020
Show more names
HydrocupreineDihydrocupreine(8α,9R)-10,11-Dihydrocinchonan-6',9-diol(8α,9R)- 10,11-dihydro-Cinchonan-6',9-diolCinchonan-6',9-diol, 10,11-dihydro-, (8α,9R)-4-[(5-ethyl-1-azabicyclo[2.2.2]octan-2-yl)-hydroxymethyl]quinolin-6-ol4-((R)-((1S,2S,4R,5S)-5-Ethylquinuclidin-2-yl)(hydroxy)methyl)quinolin-6-ol
10,11-Dihydrocinchonan-6',9-diolTS-09743H51039T77551(1xi,9R)-8alpha-10,11-Dihydrocinchonan-6',9-diol(8|A,9R)-10,11-Dihydrocinchonan-6 inverted exclamation marka,9-diol
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 56.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 418
Physicochemical properties
- Melting point
- 204 °C · 204 °C(Solv: ethanol (64-17-5))
- Boiling point
- 516.5 · 516.5±35.0 °C(Predicted)
- Density
- 1.26 · 1.26±0.1 g/cm3(Predicted)
- pka
- 8.82 · 8.82±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319
- Precautionary statements
- 264 · P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319
- Precautionary statements
- P264-P270-P280-P301+P312+P330-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P501
Chemistry & industry
Applications
Uses6'-Hydroxydihydrocinchonidine is a metabolite of Quinine (HY-D0143) (antimalarial agent)[1].
Upstream & downstream products
Downstream products
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Related reactions
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Compound notes
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