chempirical

Polaprezinc

C9H12N4O3ZnCAS 107667-60-7289.60 g/mol

Open in Covalent MOL file
NH2ON−NHNOO−Zn2+
Carboxylic acidPrimary amine

Properties

Molecular formula
C9H12N4O3Zn
Molar mass
289.60 g/mol
Exact mass
288.0201 Da
Melting point
above 300 °C
logP
-1.68Crippen estimate
Polar surface area
126.0 Ų
H-bond donors / acceptors
2 / 5
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
107667-60-7
SMILES
NCCC(=O)[N-][C@@H](Cc1cnc[nH]1)C(=O)[O-].[Zn+2]
InChIKey
IGXZLYMCFZHNKW-FJXQXJEOSA-L
InChI
InChI=1S/C9H14N4O3.Zn/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6;/h4-5,7H,1-3,10H2,(H3,11,12,13,14,15,16);/q;+2/p-2/t7-;/m0./s1

Weigh it out

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

Names and synonyms

8 names
  • Zinc, [β-alanyl-κN-L-histidinato(2-)-κN,κO]-
  • Zinc, [N-β-alanyl-L-histidinato(2-)-N,NN,Oα]-
  • L-Histidine, N-β-alanyl-, zinc complex
  • Z 103
  • Zinc L-carnosine
  • β-Alanyl-L-histidinato zinc
  • Promac
  • Promac (antiulcer agent)

Work with Polaprezinc

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

Carnosine305-84-046 % similar D-Histidine351-50-842 % similar Dl-histidine4998-57-642 % similar Histidine71-00-142 % similar D-Histidine hydrochloride6341-24-839 % similar DL-Histidine hydrochloride6459-59-239 % similar Histamine51-45-638 % similar Dl-histidine monohydrochloride monohydrate123333-71-137 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook