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846589-98-8 molecular structure
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(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride

ChemBase ID: 312937
Molecular Formular: C11H15Cl2N
Molecular Mass: 232.1495
Monoisotopic Mass: 231.05815485
SMILES and InChIs

SMILES:
C1NC[C@@H](c2c(C1)ccc(c2)Cl)C.Cl
Canonical SMILES:
Clc1ccc2c(c1)[C@@H](C)CNCC2.Cl
InChI:
InChI=1S/C11H14ClN.ClH/c1-8-7-13-5-4-9-2-3-10(12)6-11(8)9;/h2-3,6,8,13H,4-5,7H2,1H3;1H/t8-;/m0./s1
InChIKey:
ITIHHRMYZPNGRC-QRPNPIFTSA-N

Cite this record

CBID:312937 http://www.chembase.cn/molecule-312937.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R)-8-chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
IUPAC Traditional name
lorcaserin hydrochloride
Synonyms
APD-356
Lorcaserin HCl
CAS Number
846589-98-8

DATA SOURCES

DATA SOURCES

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Data Source Data ID
Selleck Chemicals S4109 external link Add to cart
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.39512655  LogD (pH = 7.4) 0.2210465 
Log P 2.829162  Molar Refractivity 56.647 cm3
Polarizability 22.035494 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
5-HT Receptor expand Show data source
Salt Data
HCl expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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