Carbamic acid, (10,11-dihydro-5-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride
Basic information
- CAS
105774-14-9- Standard SMILES
CCOC(=O)Nc1ccc2c(c1)N(C(=O)CCN1CCN(CCO)CC1)c1ccccc1CC2.Cl- InChIKey
PHFDAJAFFMUOKC-UHFFFAOYSA-N- Molecular formula
- C26H35ClN4O4
- Average molar mass
- 503 g/mol
- Monoisotopic mass
- 502.2346833
Names & identifiers
- Preferred name
- Carbamic acid, (10,11-dihydro-5-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochloride
- IUPAC
- ethyl N-[11-[3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl]-5,6-dihydrobenzo[b][1]benzazepin-2-yl]carbamate;hydrochloride
Names & synonyms
105774-14-9Carbamic acid, (10,11-dihydro-5-(3-(4-(2-hydroxyethyl)-1-piperazinyl)-1-oxopropyl)-5H-dibenz(b,f)azepin-3-yl)-, ethyl ester, monohydrochlorideDTXSID20147325RefChem:331797DTXCID2069816SMR000116917(5-{3-[4-(2-Hydroxy-ethyl)-piperazin-1-yl]-propionyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)-carbamic acid ethyl esterEthyl (5-{3-[4-(2-hydroxyethyl)piperazin-1-yl]propanoyl}-10,11-dihydro-5H-dibenzo[b,f]azepin-3-yl)carbamate--hydrogen chloride (1/1)MLS000526443MLS001385247CHEMBL1384769
Database identifiers
- CAS
105774-14-9- PubChem CID
- 3064800
- DTXSID
DTXSID20147325- ChEMBL
CHEMBL1384769
Properties
Computed structural properties
- Topological polar surface area
- 85.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 669
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Compound notes
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