Sch 434
Basic information
- CAS
132316-36-0- Standard SMILES
CCOC(=O)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1.CN[C@@H](C)[C@@H](O)c1ccccc1- InChIKey
ZQBWEJQBVWJHRY-PXRPMCEGSA-N- Molecular formula
- C32H38ClN3O3
- Average molar mass
- 548.1 g/mol
- Monoisotopic mass
- 547.2601698
Overview
drug combination containing loratadine & pseudoephedrine
Names & identifiers
- Preferred name
- Sch 434
- IUPAC
- ethyl 4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidine-1-carboxylate;(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol
- English name
- Sch 434
- Molecular formula
- C22H23ClN2O2.C10H15NO
- Molecular weight
- 548.12
Names & synonyms
Sch 434Sch-434132316-36-0DTXSID90157491RefChem:181746DTXCID4079982Loratadine / pseudoephedrineSCHEMBL6081831-Piperidinecarboxylic acid, 4-(8-chloro-5,6-dihydro-11H-benzo(5,6)cyclohepta(1,2-b)pyridin-11-ylidene)-, ethyl ester, mixt. with (S-(R*,R*))-alpha-(1-(methylamino)ethyl)benzenemethanolEthyl 4-(8-chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)piperidine-1-carboxylate--(1S,2S)-2-(methylamino)-1-phenylpropan-1-ol (1/1)
Database identifiers
- CAS
132316-36-0- PubChem CID
- 131503
- DTXSID
DTXSID90157491
Properties
Computed structural properties
- Topological polar surface area
- 74.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 690
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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