chempirical

Tegaserod maleate

C20H27N5O5CAS 189188-57-6417.47 g/mol

Open in Covalent MOL file
NHHNNHNNHOOHOOOH
AlkeneCarboxylic acidEtherGuanidineHydrazone

Properties

Molecular formula
C20H27N5O5
Molar mass
417.47 g/mol
Exact mass
417.2012 Da
logP
2.53Crippen estimate
Polar surface area
159.9 Ų
H-bond donors / acceptors
6 / 5
Rotatable bonds
9

Identifiers

CAS number
189188-57-6
SMILES
CCCCCNC(=N)NN=Cc1c[nH]c2ccc(OC)cc12.O=C(O)/C=CC(=O)O
InChIKey
CPDDZSSEAVLMRY-BTJKTKAUSA-N
InChI
InChI=1S/C16H23N5O.C4H4O4/c1-3-4-5-8-18-16(17)21-20-11-12-10-19-15-7-6-13(22-2)9-14(12)15;5-3(6)1-2-4(7)8/h6-7,9-11,19H,3-5,8H2,1-2H3,(H3,17,18,21);1-2H,(H,5,6)(H,7,8)/b;2-1-

Weigh it out

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

Names and synonyms

8 names
  • Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (2Z)-2-butenedioate (1:1)
  • Hydrazinecarboximidamide, 2-[(5-methoxy-1H-indol-3-yl)methylene]-N-pentyl-, (Z)-2-butenedioate (1:1)
  • SDZ-HTF 919
  • Zelmac
  • HTF 919
  • Zelnorm
  • Tegaserod hydrogen maleate
  • Tegibs 6

Work with Tegaserod maleate

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.

Fumaric acid110-17-8Free acid, defined stereoisomer Maleic acid110-16-7Free acid Poly(maleic acid)26099-09-2Free acid Tegaserod145158-71-0Free base Iron(II) fumarate141-01-5Salt, defined stereoisomer Chlorpheniramine maleate113-92-8Salt Pyrilamine maleate59-33-6Salt Timolol maleate26921-17-5Salt, defined stereoisomer Sodium fumarate5873-57-4Salt, defined stereoisomer Calcium fumarate19855-56-2Salt, defined stereoisomer Clemastine fumarate14976-57-9Salt, defined stereoisomer (±)-Brompheniramine maleate980-71-2Salt

Similar compounds

5-Methoxyindole-3-carboxaldehyde10601-19-139 % similar 5-Methoxyindoleacetic acid3471-31-638 % similar 5-Methoxy-1H-indole-3-carboxylic acid10242-01-038 % similar 3-(2,5-Dimethoxyphenyl)-2-propenoic acid10538-51-936 % similar 2',5'-Dimethoxycinnamic acid161282-95-736 % similar (2E)-3-(2,4-Dimethoxyphenyl)-2-propenoic acid16909-09-436 % similar 2,4-Dimethoxycinnamic acid6972-61-836 % similar 4-Hydroxy-6-methoxyquinoline-3-carboxylic acid28027-16-936 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook