Atropine hydrochlorideProduct ingredient for Atropine

Name
Atropine hydrochloride
Drug Entry
Atropine

An alkaloid, originally from Atropa belladonna, but found in other plants, mainly solanaceae.

Accession Number
DBSALT002584
Structure
Thumb
Synonyms
Not Available
UNII
EUF58V826B
CAS Number
33952-38-4
Weight
Average: 325.83
Monoisotopic: 325.1444713
Chemical Formula
C17H24ClNO3
InChI Key
OJIPQOWZZMSBGY-RIMUKSHESA-N
InChI
InChI=1S/C17H23NO3.ClH/c1-18-13-7-8-14(18)10-15(9-13)21-17(20)16(11-19)12-5-3-2-4-6-12;/h2-6,13-16,19H,7-11H2,1H3;1H/t13-,14+,15+,16?;
IUPAC Name
(1R,3S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 3-hydroxy-2-phenylpropanoate hydrochloride
SMILES
Cl.CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)C(CO)C1=CC=CC=C1
ChemSpider
19731241
Predicted Properties
PropertyValueSource
Water Solubility2.52 mg/mLALOGPS
logP2.19ALOGPS
logP1.57ChemAxon
logS-2.1ALOGPS
pKa (Strongest Acidic)15.15ChemAxon
pKa (Strongest Basic)9.39ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area49.77 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity80.82 m3·mol-1ChemAxon
Polarizability31.68 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon