Hydroquinidine Hydrochloride

CAS
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CAS
1476-98-8
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Purity
98%+
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Catalog Number

ACM1476988

Product Name

Hydroquinidine Hydrochloride

Structure

CAS

1476-98-8

Category

Heterocyclic Organic Compound

Synonyms

(1S)-((2R,4S,5R)-5-Ethylquinuclidin-2-yl)(6-methoxyquinolin-4-yl)methanol hydrochloride

IUPAC Name

(S)-[(2R,4S,5R)-5-ethyl-1-azabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol;hydrochloride;

Molecular Weight

362.9

Molecular Formula

C20H27ClN2O2;

Canonical SMILES

CCC1CN2CCC1CC2C(C3=C4C=C(C=CC4=NC=C3)OC)O.Cl;

InChI

InChI=1S/C20H26N2O2.ClH/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;/h4-6,8,11,13-14,19-20,23H,3,7,9-10,12H2,1-2H3;1H/t13-,14-,19+,20-;/m0./s1

InChI Key

MULXTQKDWYBJMO-VJAUXQICSA-N

Melting Point

277-279 °C

Complexity

432

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

EC Number

216-024-1

Exact Mass

362.1761058

H-Bond Acceptor

H-Bond Donor

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isomeric SMILES

CC[C@H]1CN2CC[C@H]1C[C@@H]2[C@H](C3=C4C=C(C=CC4=NC=C3)OC)O.Cl

Monoisotopic Mass

362.1761058

Physical State

Solid

Rotatable Bond Count

Topological Polar Surface Area

45.6

UNII

6BR4G8VAHM

MSDS

Download MSDS

COA

Download COA

Spec Sheet

Download Spec Sheet

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