Lorcaserin hydrochloride

C₁₁H₁₅Cl₂NCAS 846589-98-8232.15 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine

Properties

Molecular formula: C₁₁H₁₅Cl₂N
Molar mass: 232.15 g/mol
Exact mass: 231.0582 Da
logP: 3.01Crippen estimate
Polar surface area: 12.0 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 0
Stereocentres: Rin SMILES atom order

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H351 Suspected of causing cancer100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P203, P264, P270, P280, P301+P317, P318, P330, P405, P501

Identifiers

CAS number

846589-98-8

SMILES

C[C@H]1CNCCc2ccc(Cl)cc21.Cl

InChIKey

ITIHHRMYZPNGRC-QRPNPIFTSA-N

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

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride (1:1), (1R)-
1H-3-Benzazepine, 8-chloro-2,3,4,5-tetrahydro-1-methyl-, hydrochloride, (1R)-
(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-3-benzazepine hydrochloride
APD 356
(R)-8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride
(R)-Lorcaserin hydrochloride

Work with Lorcaserin hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Lorcaserin616202-92-7Free base 8-Chloro-1-methyl-2,3,4,5-tetrahydro-1H-benzo[d]azepine hydrochloride1431697-94-7Stereo not defined

Similar compounds

(2,4-Dichlorobenzyl)methylamine hydrochloride90389-07-439 % similar 5-Chloroindoline25658-80-437 % similar 5,7-Dichloro-1,2,3,4-tetrahydroisoquinoline hydrochloride73075-47-535 % similar 7-Trifluoromethyl-1,2,3,4-tetrahydro-isoquinoline hydrochloride220247-87-035 % similar 6-Methoxy-1,2,3,4-tetrahydroisoquinoline hydrochloride57196-62-035 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-434 % similar (4-Chloro-2-fluorobenzyl)amine hydrochloride202982-63-634 % similar 6-Bromo-1,2,3,4-tetrahydroisoquinoline hydrochloride215798-19-934 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook