chempirical

Tirofiban hydrochloride

C22H37ClN2O5SCAS 142373-60-2477.06 g/mol

Open in Covalent MOL file
SOONHONHOHOHCl
Carboxylic acidEtherSecondary amineSulfonamide

Properties

Molecular formula
C22H37ClN2O5S
Molar mass
477.06 g/mol
Exact mass
476.2112 Da
logP
3.37Crippen estimate
Polar surface area
104.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
14
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
142373-60-2
SMILES
CCCCS(=O)(=O)N[C@@H](Cc1ccc(OCCCCC2CCNCC2)cc1)C(=O)O.Cl
InChIKey
KPKFFYOMPGOQRP-BOXHHOBZSA-N
InChI
InChI=1S/C22H36N2O5S.ClH/c1-2-3-16-30(27,28)24-21(22(25)26)17-19-7-9-20(10-8-19)29-15-5-4-6-18-11-13-23-14-12-18;/h7-10,18,21,23-24H,2-6,11-17H2,1H3,(H,25,26);1H/t21-;/m0./s1

Weigh it out

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

Names and synonyms

6 names
  • L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-, hydrochloride (1:1)
  • L-Tyrosine, N-(butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-, monohydrochloride
  • MK 383
  • N-(Butylsulfonyl)-O-[4-(4-piperidinyl)butyl]-L-tyrosine hydrochloride
  • L 700462
  • Aggrastat

Work with Tirofiban 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

Similar compounds

Tirofiban hydrochloride monohydrate150915-40-595 % similar Tirofiban144494-65-595 % similar 4-(Pentyloxy)benzoic acid15872-41-038 % similar 4-(Hexyloxy)benzoic acid1142-39-837 % similar 4-(Heptyloxy)benzoic acid15872-42-137 % similar 4-(Nonyloxy)benzoic acid15872-43-237 % similar 4-(Undecyloxy)benzoic acid15872-44-337 % similar 4-(Dodecyloxy)benzoic acid2312-15-437 % similar

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

Elsewhere

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