Cyproheptadine hydrochloride sesquihydrate

C₂₁H₂₄ClNOCAS 41354-29-4341.88 g/mol

Open in Covalent MOL file

Alkene Tertiary amine

Properties

Molecular formula: C₂₁H₂₄ClNO
Molar mass: 341.88 g/mol
Exact mass: 341.1546 Da
logP: 4.29Crippen estimate
Polar surface area: 34.7 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 0

Identifiers

CAS number

41354-29-4

SMILES

CN1CCC(=C2c3ccccc3C=Cc3ccccc32)CC1.Cl.O

InChIKey

PFQPCBUPUOPHGM-UHFFFAOYSA-N

InChI

InChI=1S/C21H21N.ClH.H2O/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21;;/h2-11H,12-15H2,1H3;1H;1H2

Weigh it out

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

Names and synonyms

2 names

Piperidine, 4-(5H-dibenzo[A,D]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:2:3)
Piperidine, 4-(5H-dibenzo[a,d]cyclohepten-5-ylidene)-1-methyl-, hydrochloride, hydrate (2:3)

Work with Cyproheptadine hydrochloride sesquihydrate

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

Similar compounds

Cyproheptadine hydrochloride969-33-592 % similar Cyproheptadine129-03-383 % similar Pizotifen15574-96-647 % similar Cyclobenzaprine hydrochloride6202-23-947 % similar Ketotifen34580-13-741 % similar 1-Methyl-4-phenyl-1,2,3,6-tetrahydropyridine hydrochloride23007-85-440 % similar Ketotifen fumarate34580-14-838 % similar Alcaftadine147084-10-437 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Dapoxetine hydrochloride129938-20-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook