Pretazettine hydrochloride

(1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol;hydrochloride

CAS: 17322-85-9

Molecular Formula	`C18H22ClNO5`
Molecular Weight	367.8 g/mol
Topological Polar Surface Area	60.4 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	367.11865
Heavy Atoms	25
Complexity	542.0

Chemical Identifiers

CAS Number	17322-85-9
SMILES	`CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.Cl`
InChIKey	`YHHPTRFYYPGNIO-WRDXNDLCSA-N`

📖 Product Overview

Pretazettine hydrochloride (CAS: 17322-85-9) is a chemical compound with molecular formula C18H22ClNO5 and molecular weight 367.8 g/mol. Its IUPAC systematic name is (1S,11R,13R,16S,18S)-18-methoxy-15-methyl-5,7,12-trioxa-15-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,19-tetraen-11-ol;hydrochloride. Topological Polar Surface Area 60.4 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 367.11865 Heavy Atoms 25 Complexity 542.0 InChI Key: YHHPTRFYYPGNIO-WRDXNDLCSA-N. SMILES: CN1CC2C3(C1CC(C=C3)OC)C4=CC5=C(C=C4C(O2)O)OCO5.Cl.

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