Quinidine arabogalactansulfate

HCID 3085019

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Basic information

CAS: 52769-40-1
Standard SMILES: C=C[C@H]1CN2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.O=S(=O)(O)O[C@@H]1OC[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H](O)[C@@H]1O
InChIKey: ALMBTIIWYYBNIQ-SMPVOTHASA-N
Molecular formula: C31H44N2O15S
Average molar mass: 716.8 g/mol
Monoisotopic mass: 716.24623987

Overview

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Names & identifiers

Preferred name: Quinidine arabogalactansulfate
IUPAC: [(2S,3S,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen sulfate;(S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol
English name: Quinidine Arabino Galactan Sulfate
Molecular formula: C31H44N2O15S
Molecular weight: 0

Names & synonyms

Quinidine arabogalactansulfate52769-40-1[(2S,3S,4S,5R)-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-2-yl] hydrogen sulfate;(S)-[(2R,4R,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanolDTXSID109672166'-Methoxycinchonan-9-ol--4-O-hexopyranosyl-1-O-sulfopentopyranose (1/1)(1xi,9S)-6'-Methoxy-4beta-cinchonan-9-ol--4-O-beta-D-galactopyranosyl-1-O-sulfo-beta-D-arabinopyranose (1/1)ChinidineAGSQuinidine Arabino Galactan Sulfate(2S,3R,4S,5S,6R)-2-[(3R,4R,5S,6S)-4,5-dihydroxy-6-sulfooxy-oxan-3-yl]o xy-3,4,5-trihydroxy-6-(hydroxymethyl)oxane: (S)-[(4R,5S,7R)-5-ethenyl- 1-azabicyclo[2.2.2]oct-7-yl]-(6-methoxyquinolin-4-yl)methanol

Database identifiers

CAS: 52769-40-1
PubChem CID: 3085019
DTXSID: DTXSID10967216

Properties

Computed structural properties

Topological polar surface area: 267 Å²
Hydrogen bond donors: 8
Hydrogen bond acceptors: 17
Rotatable bonds: 9
Heavy atoms: 49
Formal charge: 0
Complexity: 992

Physicochemical properties

Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-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.

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330-P501

Chemistry & industry

Suppliers2 total

ASIA TALENT CHEMICAL LIMITED[email protected]

Service Chemical Inc.[email protected]

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