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alizapride hydrochloride

alizapride hydrochloride

CAS: 59338-87-3

Formula: C16H22ClN5O2

SMILES: Cl[H].COC1=C(C=C2N=NNC2=C1)C(=O)NCC1CCCN1CC=C

IUPAC: 6-methoxy-N-{[1-(prop-2-en-1-yl)pyrrolidin-2-yl]methyl}-1H-1,2,3-benzotriazole-5-carboxamide hydrochloride

InChI: InChI=1/C16H21N5O2.ClH/c1-3-6-21-7-4-5-11(21)10-17-16(22)12-8-13-14(19-20-18-13)9-15(12)23-2;/h3,8-9,11H,1,4-7,10H2,2H3,(H,17,22)(H,18,19,20);1H

Composition: C (54.62%), H (6.30%), Cl (10.08%), N (19.91%), O (9.09%)

Molar Mass: 351.84

Atom Count: 46

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 351.1462027
Formal Charge 0
FSP3 0.44
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 2
InChIKey BRECEDGYMYXGNF-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 88.89
Topological Polar Surface Area 83.14
Polarizability 34.41
Ring Count 3
Rotatable Bond Count 6

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