Almotriptan

C₁₇H₂₅N₃O₂SCAS 154323-57-6335.47 g/mol

Open in Covalent MOL file

Sulfonamide Tertiary amine

Properties

Molecular formula: C₁₇H₂₅N₃O₂S
Molar mass: 335.47 g/mol
Exact mass: 335.1667 Da
logP: 2.20Crippen estimate
Polar surface area: 56.4 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 6

Hazards

Warning

H373 May causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P260, P319, P501

Identifiers

CAS number

154323-57-6

SMILES

CN(C)CCc1c[nH]c2ccc(CS(=O)(=O)N3CCCC3)cc12

InChIKey

WKEMJKQOLOHJLZ-UHFFFAOYSA-N

InChI

InChI=1S/C17H25N3O2S/c1-19(2)10-7-15-12-18-17-6-5-14(11-16(15)17)13-23(21,22)20-8-3-4-9-20/h5-6,11-12,18H,3-4,7-10,13H2,1-2H3

Weigh it out

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

Names and synonyms

5 names

1H-Indole-3-ethanamine, N,N-dimethyl-5-[(1-pyrrolidinylsulfonyl)methyl]-
Pyrrolidine, 1-[[[3-[2-(dimethylamino)ethyl]-1H-indol-5-yl]methyl]sulfonyl]-
N,N-Dimethyl-5-[(1-pyrrolidinylsulfonyl)methyl]-1H-indole-3-ethanamine
LAS 31416
Almogran

Work with Almotriptan

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.

Almotriptan malate181183-52-8Salt

Similar compounds

Sumatriptan103628-46-265 % similar Sumatriptan succinate103628-48-455 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-051 % similar Rizatriptan144034-80-050 % similar Zolmitriptan139264-17-846 % similar 3-(2-Aminoethyl)-N-methyl-1H-indole-5-methanesulfonamide88919-22-645 % similar 4-((1-Pyrrolidinylsulfonyl)methyl)benzenamine334981-10-142 % similar Rizatriptan benzoate145202-66-042 % similar

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

Same formula

Naratriptan121679-13-8 1-[[2,4,6-Tris(1-methylethyl)phenyl]sulfonyl]-1H-1,2,4-triazole54230-60-3

Elsewhere

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