Name: Ambazone
SKU: 539-21-9

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Basic Information

Molecular Structure:
CAS No.:	539-21-9
Name:	Ambazone
Article Data:	4

Formula:	C8H11 N7 S
Molecular Weight:	237.288
Synonyms:	Guanidine,[(4-oxo-2,5-cyclohexadien-1-ylidene)amino]-, thiosemicarbazone (6CI,7CI,8CI);Hydrazinecarbothioamide,2-[4-[(aminoiminomethyl)hydrazono]-2,5-cyclohexadien-1-ylidene]- (9CI);(4-Oxo-2,5-cyclohexadien-1-ylideneamino)guanidine thiosemicarbazone;1,4-Benzoquinone amidinohydrazone thiosemicarbazone; Ambazon; Ambazone;Anginon; Benzoquinone guanylhydrazone thiosemicarbazone; DC 0572; Faringosept;Guanothiazon; Inversal; Iversal; Ivertol;N-Guanidino-N'-thioureido-p-benzoquinonediimide; Primal; p-Benzoquinoneamidinohydrazone thiosemicarbazone
EINECS:	208-713-0
Density:	1.57g/cm³
Melting Point:	195°C (rough estimate)
Boiling Point:	461.9°Cat760mmHg
Flash Point:	233.2°C
Safety:	Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of SO_x and NO_x.
PSA:	156.76000
LogP:	1.42280

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Chemistry

IUPAC Name: [4-[2-(diaminomethylidene)hydrazinyl]phenyl]iminothiourea
Molecular Weight: 237.28484 g/mol
Molecular Formula: C₈H₁₁N₇S
Density: 1.57 g/cm³
Boiling Point: 461.9 °C at 760 mmHg
Flash Point: 233.2 °C
Water Solubility: 2470 mg/L at 25 °C
EINECS: 208-713-0
Molar Volume: 150.8 cm³
Polarizability: 24.63*10^-24cm³
Surface Tension: 71 dyne/cm
Enthalpy of Vaporization: 72.29 kJ/mol
Vapour Pressure: 1.03E-08 mmHg at 25 °C
XLogP3-AA: 0.7
H-Bond Donor: 4
H-Bond Acceptor: 5
Rotatable Bond Count: 3
Tautomer Count: 13
Exact Mass: 237.079664
MonoIsotopic Mass: 237.079664
Topological Polar Surface Area: 127
Heavy Atom Count: 16
Complexity: 289
Canonical SMILES: C1=CC(=CC=C1NN=C(N)N)N=NC(=S)N
InChI: InChI=1S/C8H11N7S/c9-7(10)14-12-5-1-3-6(4-2-5)13-15-8(11)16/h1-4,12H,(H2,11,16)(H4,9,10,14)
InChIKey: ANZIOUQAFBXNHU-UHFFFAOYSA-N

Uses

Ambazone (CAS NO.539-21-9) is used to be a kind of anti-inflammatory antimicrobial agents. It is has a strong effect for streptococcus pyogenes, pneumococcal disease and so on.

Toxicity Data With Reference

1.	mmo-sat 100 µg/plate	STBIBN Studia Biophysica. 117 (1987),99.
2.	dnr-mic-uns 10 g/L	STBIBN Studia Biophysica. 117 (1987),99.
3.	orl-rat LD50:750 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),57.
4.	ipr-rat LD50:200 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),57.
5.	orl-mus LD50:1000 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),57.
6.	orl-gpg LD50:80 mg/kg	NIIRDN “Drugs in Japan. Ethical Drugs, 6th Edition 1982” Edited by Japan Pharmaceutical Information Center. 6 (1982),57.

Safety Profile

Poison by ingestion and intraperitoneal routes. Mutation data reported. When heated to decomposition it emits toxic fumes of SO_x and NO_x.

Specification

The synonyms of Ambazone (CAS NO.539-21-9) are Ambazone ; p-Benzoquinone amidinohydrazone thiosemicarbazone ;1,4-Benzoquinone guanylhydrazone thiosemicarbazone ; Faringosept ; Inversal ; ((4-oxo-2,5-cyclohexadien-1-ylidene)amino)-guanidin thiosemicarbazone ; ((4-oxo-2,5-cyclohexadien-1-ylidene)amino)guanidine thiosemicarbazone ; 1-amidinohydrazono-4-thiosemicarbazono-2,5-cyclohexadiene .Ambazone (CAS NO.539-21-9) is moderate toxic. It is flammable. It will produce toxic sulfur oxide and nitrogen oxide fumes when buring. So the storage environment should be ventilate, low-temperature and dry.