chempirical

Acotiamide hydrochloride

C21H37ClN4O8SCAS 773092-05-0541.06 g/mol

Open in Covalent MOL file
NNHOSNNHOHOOOH2OH2OH2OHCl
AmideEtherPhenolTertiary amine

Properties

Molecular formula
C21H37ClN4O8S
Molar mass
541.06 g/mol
Exact mass
540.2021 Da
logP
0.91Crippen estimate
Polar surface area
207.5 Ų
H-bond donors / acceptors
3 / 8
Rotatable bonds
10

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
773092-05-0
SMILES
CC(C)N(CCNC(=O)C1=CSC(=N1)NC(=O)C2=CC(=C(C=C2O)OC)OC)C(C)C.O.O.O.Cl
InChIKey
NPTDXIXCQCFGKC-UHFFFAOYSA-N
InChI
InChI=1S/C21H30N4O5S.ClH.3H2O/c1-12(2)25(13(3)4)8-7-22-20(28)15-11-31-21(23-15)24-19(27)14-9-17(29-5)18(30-6)10-16(14)26;;;;/h9-13,26H,7-8H2,1-6H3,(H,22,28)(H,23,24,27);1H;3*1H2

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Names and synonyms

1 names
  • Acotiamide hydrochloride trihydrate

Work with Acotiamide 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

Methyl 2-[(2-hydroxy-4,5-dimethoxybenzoyl)amino]-4-thiazolecarboxylate877997-99-437 % similar 2'-Hydroxy-4',5'-dimethoxyacetophenone20628-06-233 % similar 2-Hydroxy-4,5-dimethoxybenzoic acid5722-93-033 % similar

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

Elsewhere

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