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18172-33-3

Basic Information
CAS No.: 18172-33-3
Name: CYCLOPIAZONIC ACID
Molecular Structure:
Molecular Structure of 18172-33-3 (CYCLOPIAZONIC ACID)
Formula: C20H20 N2 O3
Molecular Weight: 336.39
Synonyms: 9H-Pyrrolo[1',2':2,3]isoindolo[4,5,6-cd]indol-9-one,10-acetyl-2,6,6a,7,11a,11b-hexahydro-11-hydroxy-7,7-dimethyl-, (6aa,11ab,11ba)- (8CI); Cyclopiazonic acid; NSC 117181; a-Cyclopiazonic acid
Density: 1.42g/cm3
Melting Point: 245-246℃
Boiling Point: 598.6°Cat760mmHg
Flash Point: 315.8°C
Solubility: Soluble in DMSO (100 mM), ethanol (5 mM), DMF (~20 mg/ml), and 1:1 DMSO:PBS(pH 7.2) (0.5 mg/ml). Insoluble in water.
Hazard Symbols:
Risk Codes: 25
Safety: Poison by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
PSA: 73.40000
LogP: 2.76580
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Chemistry

Molecular Formula: C20H20N2O3
Molar mass: 336.38 g/mol
EINECS: 243-798-8
Density: 1.42 g/cm3
Flash Point: 315.8 °C
Index of Refraction: 1.715
Boiling Point: 598.6 °C at 760 mmHg
Vapour Pressure: 3.56E-15 mmHg at 25 °C
Melting point: 245-246 °C
Storage temp: -20 °C
Appearance: Off-white powder or crystals
Solubility: DMSO: soluble
Form: Powder
Color: White to off-white
Product categories of Cyclopiazonic acid (CAS NO.18172-33-3): Calcium signaling
Structure of Cyclopiazonic acid (CAS NO.18172-33-3):
   
XLogP3-AA: 3.1
H-Bond Donor: 2
H-Bond Acceptor: 4
Canonical SMILES: CC(=O)C1=C(N2C(C1=O)C3C(C2(C)C)CC4=C5C3=CNC5=CC=C4)O
InChI: InChI=1S/C20H20N2O3/c1-9(23)14-18(24)17-16-11-8-21-13-6-4-5-10(15(11)13)7-12(16)20(2,3)22(17)19(14)25/h4-6,8,12,1617,21,25H,7H2,1-3H3 
InChIKey: RLOAZVAJNNPPDI-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
chicken LD50 oral 12mg/kg (12mg/kg)   Poultry Science. Vol. 65(Suppl,
mouse LD50 intraperitoneal 13mg/kg (13mg/kg) BEHAVIORAL: MUSCLE WEAKNESS
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"
Food and Chemical Toxicology. Vol. 23, Pg. 831, 1985.
mouse LD50 oral 64mg/kg (64mg/kg) SENSE ORGANS AND SPECIAL SENSES: PTOSIS: EYE
LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Research Communications in Chemical Pathology and Pharmacology. Vol. 55, Pg. 303, 1987.
rabbit LDLo intraperitoneal 10mg/kg (10mg/kg) BRAIN AND COVERINGS: CHANGES IN SURFACE EEG
SENSE ORGANS AND SPECIAL SENSES: MIOSIS (PUPILLARY CONSTRICTION): EYE
LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Food and Chemical Toxicology. Vol. 23, Pg. 831, 1985.
rat LD50 intraperitoneal 2mg/kg (2mg/kg) GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF ENDOCRINE PANCREAS
LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"
KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Toxicology and Applied Pharmacology. Vol. 18, Pg. 114, 1971.
rat LD50 oral 36mg/kg (36mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"
KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"
Toxicology and Applied Pharmacology. Vol. 18, Pg. 114, 1971.

Carcinogenicity of Cyclopiazonic acid (CAS NO.18172-33-3) hasn't been listed as a carcinogen by NTP, IARC,ACGIH, or CA Prop 65. You can see actual entry in RTECS for complete information.

Consensus Reports

EPA Genetic Toxicology Program.

Safety Profile

Poison by ingestion and intraperitoneal routes. An experimental teratogen. Experimental reproductive effects. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
 

Hazard Codes: ToxicT
Risk Statements: 25
R25 :Toxic if swallowed.
Safety Statements: 36/37/39-45
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection. 
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
 

Specification

 Cyclopiazonic acid ,its cas register number is 18172-33-3. It also can be called 9H-Pyrrolo(1',2':2,3)isoindolo(4,5,6-cd)indol-9-one, 2,6,6a,7,11a,11b-hexahydro-10-acetyl-7,7-dimethyl-11-hydroxy-, (6a-alpha,11a,11b-alpha)-  ; .alpha.-Cyclopiazonic acid ; alpha-Cyclopiazonic acid and alpha-Cyclopiazonate . Cyclopiazonic acid (CAS NO.18172-33-3) is hazardous,so the first aid measures and others should be known. Such as: When on the skin: first,should flush skin with plenty of water immediately for at least 15 minutes while removing contaminated clothing. Secondly,Get medical aid. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Then get medical aid soon. While ,it's Inhaled: Remove from exposure and move to fresh air immediately.Give artificial respiration while not breathing. When breathing is difficult, give oxygen. And as soon as to get medical aid. Then you have the ingesting of the product : Wash mouth out with water,and get medical aid immediately.