CAS No.69-81-8,Carbazochrome Suppliers

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Basic Information

Molecular Structure:
CAS No.:	69-81-8
Name:	Carbazochrome
Article Data:	3

Formula:	C₁₀H₁₂N₄O₃
Molecular Weight:	236.23
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;
EINECS:	200-717-0
Density:	1.63 g/cm³
Melting Point:	203° (dec)
Appearance:	nacarat crystalline powder
Safety:	24/25
PSA:	108.02000
LogP:	-0.26090

Synthetic route

: 563-41-7
semicarbazide hydrochloride

DL-adrenochrome: DL-adrenochrome

: 69-81-8
(+/-)-3-hydroxy-1-methyl-indoline-5,6-dione-5-semicarbazone

Conditions

Conditions	Yield
With water; sodium acetate

Total:146 Page 1 of 4 1 2 3 4 Next>>

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Specification

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^-24cm³; (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.

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