Rasagiline mesylate

C13H17NO3SCAS 161735-79-1267.34 g/mol

Open in Covalent MOL file
SOOHOHN
AlkyneSecondary amineSulfonic acid

Properties

Molecular formula
C13H17NO3S
Molar mass
267.34 g/mol
Exact mass
267.0929 Da
logP
1.40Crippen estimate
Polar surface area
66.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
161735-79-1
SMILES
CS(=O)(=O)O.C#CCN[C@@H]1CCC2=CC=CC=C12
InChIKey
JDBJJCWRXSVHOQ-UTONKHPSSA-N
InChI
InChI=1S/C12H13N.CH4O3S/c1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-5(2,3)4/h1,3-6,12-13H,7-9H2;1H3,(H,2,3,4)/t12-;/m1./s1

Weigh it out

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

Work with Rasagiline mesylate

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.

Methanesulfonic acid75-75-2Free acid Rasagiline136236-51-6Free base Dihydroergotamine mesylate6190-39-2Salt Doxazosin mesylate77883-43-3Salt Deferoxamine mesylate138-14-7Salt Benztropine mesylate132-17-2Salt Tricaine methanesulfonate886-86-2Salt Bromocriptine mesylate22260-51-1Salt Almitrine bismesylate29608-49-9Salt Gabexate mesilate56974-61-9Salt Imatinib mesylate220127-57-1Salt Phentolamine methanesulfonate65-28-1Salt

Similar compounds

1-Indanol6351-10-634 % similar (1,2,3,4-Tetrahydro-isoquinolin-1-yl)-acetic acid105400-81-534 % similar (R)-(-)-1,2,3,4-Tetrahydro-1-naphthol23357-45-132 % similar 1-Tetralol529-33-932 % similar (S)-(+)-1,2,3,4-Tetrahydro-1-naphthol53732-47-132 % similar 1-Methyl-1,2,3,4-tetrahydroisoquinoline4965-09-731 % similar 1,2,3,4-Tetrahydro-1-naphthoic acid1914-65-431 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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