chempirical

Puromycin hydrochloride

C22H31Cl2N7O5CAS 58-58-2544.43 g/mol

Open in Covalent MOL file
OH2NOHNHONNNNNOHOHClHCl
AlcoholEtherPrimary amineTertiary amine

Properties

Molecular formula
C22H31Cl2N7O5
Molar mass
544.43 g/mol
Exact mass
543.1764 Da
logP
0.89Crippen estimate
Polar surface area
164.4 Ų
H-bond donors / acceptors
4 / 10
Rotatable bonds
8
Stereocentres
S, S, R, R, Sin SMILES atom order

Identifiers

CAS number
58-58-2
SMILES
COc1ccc(C[C@H](N)C(O)=N[C@H]2[C@@H](O)[C@H](n3cnc4c(N(C)C)ncnc43)O[C@@H]2CO)cc1.Cl.Cl
InChIKey
MKSVFGKWZLUTTO-FZFAUISWSA-N
InChI
InChI=1S/C22H29N7O5.2ClH/c1-28(2)19-17-20(25-10-24-19)29(11-26-17)22-18(31)16(15(9-30)34-22)27-21(32)14(23)8-12-4-6-13(33-3)7-5-12;;/h4-7,10-11,14-16,18,22,30-31H,8-9,23H2,1-3H3,(H,27,32);2*1H/t14-,15+,16+,18+,22+;;/m0../s1

Weigh it out

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

Names and synonyms

13 names · show all
  • Adenosine, 3′-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-, hydrochloride (1:2)
  • Adenosine, 3′-(α-amino-p-methoxyhydrocinnamamido)-3′-deoxy-N,N-dimethyl-, dihydrochloride, L-
  • Adenosine, 3′-[[2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-, dihydrochloride, (S)-
  • Adenosine, 3′-[[(2S)-2-amino-3-(4-methoxyphenyl)-1-oxopropyl]amino]-3′-deoxy-N,N-dimethyl-, dihydrochloride
  • CL 16,536
  • 3′-(L-α-Amino-p-methoxyhydrocinnamamido)-3′-deoxy-N,N-dimethyladenosine dihydrochloride
  • PDH
  • Puromycin dihydrochloride
  • Stylomycin dihydrochloride
  • CL 13900 dihydrochloride
  • P 638 Dihydrochloride
  • CL 16536
  • NSC 3055

Work with Puromycin 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

Puromycin53-79-296 % similar Aminonucleoside58-60-655 % similar N6-Dimethyladenosine2620-62-454 % similar 3′-Azido-3′-deoxyadenosine58699-62-043 % similar 3′-O-Methyladenosine10300-22-841 % similar Vidarabine5536-17-440 % similar Adenosine58-61-740 % similar N6-Benzoyladenosine4546-55-840 % similar

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

Elsewhere

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