Sibutramine hydrochloride monohydrate
Properties
- Molecular formula
- C17H29Cl2NO
- Molar mass
- 334.33 g/mol
- Exact mass
- 333.1626 Da
- Melting point
- 193–195.5 °C
- logP
- 4.34Crippen estimate
- Polar surface area
- 34.7 Ų
- H-bond donors / acceptors
- 0 / 1
- Rotatable bonds
- 5
Identifiers
CAS number
125494-59-9SMILES
CC(C)CC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.Cl.OInChIKey
KFNNPQDSPLWLCX-UHFFFAOYSA-NInChI
InChI=1S/C17H26ClN.ClH.H2O/c1-13(2)12-16(19(3)4)17(10-5-11-17)14-6-8-15(18)9-7-14;;/h6-9,13,16H,5,10-12H2,1-4H3;1H;1H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-, hydrochloride, hydrate (1:1:1)
- Cyclobutanemethanamine, 1-(4-chlorophenyl)-N,N-dimethyl-α-(2-methylpropyl)-, hydrochloride, monohydrate
- 1-(1-(4-Chlorophenyl)cyclobutyl)-N,N,3-trimethylbutan-1-amine hydrochloride hydrate
Work with Sibutramine hydrochloride monohydrate
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.
Similar compounds
1-[1-(4-Chlorophenyl)cyclobutyl]-3-methylbutylamine hydrochloride84484-78-660 % similar
1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-831 % similar
1-(4-Chlorophenyl)cyclobutanecarboxylic acid50921-39-630 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds