Carbazochrome

C10H12N4O3CAS 69-81-8236.23 g/mol

Open in Covalent MOL file
NNNHONH2OHO
AlcoholAlkeneHydrazoneKetoneTertiary amineUrea

Properties

Molecular formula
C10H12N4O3
Molar mass
236.23 g/mol
Exact mass
236.0909 Da
Melting point
212–213 °C (decomposes)
logP
-1.29Crippen estimate
Polar surface area
108.0 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Hazards

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

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Identifiers

CAS number
69-81-8
SMILES
CN1CC(C2=CC(=NNC(=O)N)C(=O)C=C21)O
InChIKey
XSXCZNVKFKNLPR-UHFFFAOYSA-N
InChI
InChI=1S/C10H12N4O3/c1-14-4-9(16)5-2-6(12-13-10(11)17)8(15)3-7(5)14/h2-3,9,16H,4H2,1H3,(H3,11,13,17)
Characterization data

Calculated from the structure, in the form journals print them.

¹H NMR
Predicted ¹H NMR (400 MHz, CDCl₃) δ 6.43 (s, 1H), 5.73 (s, 1H), 5.00 (br s, 1H), 5.00 (br s, 2H), 4.94 (t, J = 7.0 Hz, 1H), 3.54 (d, J = 7.0 Hz, 2H), 2.88 (s, 3H), 2.00 (br s, 1H).
¹³C NMR
Predicted ¹³C NMR (101 MHz, CDCl₃) δ 191.7, 161.3, 158.6, 148.0, 135.8, 120.5, 97.1, 72.3, 60.2, 32.9.
[M + H]+
[M + H]+ Calcd for C10H13N4O3 237.0982
[M + Na]+
[M + Na]+ Calcd for C10H12N4NaO3 259.0802
[M − H]−
[M − H]− Calcd for C10H11N4O3 235.0837
Elemental analysis
Anal. Calcd for C10H12N4O3: C, 50.84; H, 5.12; N, 23.72.

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Names and synonyms

21 names · show all
  • Hydrazinecarboxamide, 2-(1,2,3,6-tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)-
  • Adrenochrome semicarbazone
  • 5,6-Indolinedione, 3-hydroxy-1-methyl-, 5-semicarbazone
  • 2-(1,2,3,6-Tetrahydro-3-hydroxy-1-methyl-6-oxo-5H-indol-5-ylidene)hydrazinecarboxamide
  • Adrenoxyl
  • Adrenostazin
  • Adrokson
  • Adroxon
  • Sangostazin
  • 3-Hydroxy-1-methyl-5,6-indolindione 5-semicarbazone
  • Adchnon
  • Cromadrenal
  • Adedolon
  • Adrezon
  • Sangostasin
  • Carbazochrom
  • Cartabes
  • Adrenochrome monosemicarbazone
  • Cromosil
  • NSC 73742
  • 2-(3-Hydroxy-1-methyl-6-oxo-2,3-dihydro-1H-indol-5(6H)-ylidene)hydrazinecarboxamide

Work with Carbazochrome

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

Carbazochrome sodium sulfonate51460-26-545 % similar Acetone semicarbazone110-20-331 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Didanosine69655-05-6

Elsewhere

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