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Name |
Carbazochrome |
EINECS | 200-717-0 |
CAS No. | 69-81-8 | Density | 1.63 g/cm3 |
PSA | 108.02000 | LogP | -0.26090 |
Solubility | N/A | Melting Point |
203° (dec) |
Formula | C10H12N4O3 | Boiling Point | N/A |
Molecular Weight | 236.23 | Flash Point | N/A |
Transport Information | N/A | Appearance | nacarat crystalline powder |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Cromadrenal;Cromosil;NSC 73742;Sangostasin;Sangostazin;5,6-Indolinedione,3-hydroxy-1-methyl-, 5-semicarbazone (7CI,8CI);Adrenochrome semicarbazone(6CI);3-Hydroxy-1-methyl-5,6-indolindione 5-semicarbazone;Adchnon;Adedolon;Adrenochrome monosemicarbazone;Adrenostazin;Adrenoxyl;Adrezon;Adrokson;Adroxon;Cartabes; |
Article Data | 3 |
semicarbazide hydrochloride
(+/-)-3-hydroxy-1-methyl-indoline-5,6-dione-5-semicarbazone
Conditions | Yield |
---|---|
With water; sodium acetate |
The Carbazochrome, with the cas registry number 69-81-8, has the IUPAC name of [(Z)-(3-hydroxy-1-methyl-6-oxo-2,3-dihydroindol-5-ylidene)amino]urea. This is a kind of nacarat crystalline powder and is slightly soluble in water and ethanol while insoluble in ethyl ether and chloroform. Besides, this chemical could be obtained from oxidation, cyclization, and condensation of isoprenalinehydrochloride.
The physical properties of this chemical are as follows: (1)ACD/LogP: -1.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.54; (4)ACD/LogD (pH 7.4): -1.53; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.47; (8)ACD/KOC (pH 7.4): 3.49; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 65.45; (13)Index of Refraction: 1.732; (14)Molar Refractivity: 57.88 cm3; (15)Molar Volume: 144.5 cm3; (16)Polarizability: 22.94 ×10-24 cm3; (17)Surface Tension: 71.9 dyne/cm; (18)Density: 1.63 g/cm3; (19)Exact Mass: 236.09094; (20)MonoIsotopic Mass: 236.09094; (21)Topological Polar Surface Area: 108; (22)Heavy Atom Count: 17; (23)Complexity: 478.
As to its usage, it is usually applied in pharmaceutics. It could used as the hemostatics which could cure the diseases as hereditaryhemorrhagictelangiectasia and prevent the bleeding in lung, kidney, intestine, brain and uterus.
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CN1CC(C2=CC(=NNC(=O)N)C(=O)C=C21)O
(2)Isomeric SMILES: CN1CC(C2=C/C(=N/NC(=O)N)/C(=O)C=C21)O
(3)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)/b12-6-
(4)InChIKey: XSXCZNVKFKNLPR-SDQBBNPISA-N
Below are the toxicity information of this chemical:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 2413mg/kg (2413mg/kg) | SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1821, 1978. |
mouse | LD50 | oral | > 35832mg/kg (35832mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2808572, | |
mouse | LD50 | subcutaneous | > 10gm/kg (10000mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1821, 1978. |
rat | LD50 | intraperitoneal | 1276mg/kg (1276mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1821, 1978. |
rat | LD50 | oral | > 17280mg/kg (17280mg/kg) | German Offenlegungsschrift Patent Document. Vol. #2808572, | |
rat | LD50 | subcutaneous | > 12500mg/kg (12500mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) SKIN AND APPENDAGES (SKIN): HAIR: OTHER | Kiso to Rinsho. Clinical Report. Vol. 12, Pg. 1821, 1978. |