Basic information
- CAS
17322-85-9- Standard SMILES
CO[C@@H]1C=C[C@@]23c4cc5c(cc4[C@H](O)O[C@H]2CN(C)[C@H]3C1)OCO5.Cl- InChIKey
YHHPTRFYYPGNIO-WRDXNDLCSA-N- Molecular formula
- C18H22ClNO5
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1186505
Names & identifiers
- Preferred name
- Pretazettine hydrochloride
- IUPAC
- (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
Names & synonyms
Pretazettine hydrochloridePretazettine, hydrochloride17322-85-9RefChem:1096613PTZ hydrochlorideNSC 109808Tazettine, 6a-deoxy-8-hydroxy-, hydrochloride, (6a-beta,8-beta)-(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
Database identifiers
- CAS
17322-85-9- PubChem CID
- 73422
Properties
Computed structural properties
- Topological polar surface area
- 60.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 542
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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