| CAS Number | 24302-67-8 |
| Catalog Number | AG003OWM(AGN-PC-0R05EE) |
| Chemical Name | (S)-Quinolin-4-yl((1S,2R,4S,5R)-5-vinylquinuclidin-2-yl)methanol Xhydrochloride |
| EC Number | 246-139-2 |
| IUPAC Name | (R)-[(4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;dihydrochloride |
| InChI | InChI=1S/C19H22N2O.2ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;2*1H/t13-,14-,18?,19+;;/m0../s1 |
| InChI Key | ZDBQDNUZNQOCTH-CRVHWNFXSA-N |
| MDL Number | MFCD00150781 |
| Molecular Formula | C19H23ClN2O |
| Molecular Weight | 330.8517 |
| SMILES | [C@@H](O)([C@@]1([N@@]2C[C@H](C=C)[C@](C1)(CC2)[H])[H])C=3C4=C(N=CC3)C=CC=C4.Cl |
| Synonyms | Cinchonidine Dihydrochloride,
cinchonidine di hydrochloride,
24302-67-8,
CTK8B2924,
ANW-41332,
AKOS025394563,
TR-011218,
J-015437,
Cinchonine HCl,
Cinchonine hydrochloride,
C19H22N2O.xClH,
C19-H22-N2-O.x-Cl-H,
EINECS 246-139-2,
c0348,
|
| Complexity | 412 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 3 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 366.127g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 24 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 367.314g/mol |
| Monoisotopic Mass | 366.127g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 36.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302
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Packing Group
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\N
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Precautionary statements
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P264-P270-P301+P312+P330-P501
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UN Code
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\N
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Certificate of Analysis
Lot Number