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CAS No.: | 313-67-7 |
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Name: | Aristolochic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C17H11NO7 |
Molecular Weight: | 341.277 |
Synonyms: | 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylicacid;Aristolochia A;Phenanthro[3,4-d]-1,3-dioxole-5-carboxylicacid, 8-methoxy-6-nitro-;Aristolochic acid 1;NSC 11926;NSC 50413;TR 1736;Tardolyt; |
EINECS: | 206-238-3 |
Density: | 1.571 g/cm3 |
Melting Point: | 260 °C |
Boiling Point: | 615.5 °C at 760 mmHg |
Flash Point: | 326 °C |
Solubility: | DMSO: soluble |
Appearance: | Shiny brown leaflets |
Hazard Symbols: | T |
Risk Codes: | 25 |
Safety: | 7-35-45 |
Transport Information: | UN 1544 6.1/PG 3 |
PSA: | 110.81000 |
LogP: | 3.85990 |
Molecular Formula: C17H11NO7
Molar mass: 341.27 g/mol
EINECS: 206-238-3
Synonyms of Aristolochic acid (CAS NO.313-67-7): 3,4-Methylenedioxy-8-methoxy-10-nitro-1-phenanthrenecarboxylic acid ; 5-19-07-00611 (Beilstein Handbook Reference) ; 8-Methoxy-3,4-methylendioxxy-10-nitro-1-phenanthrencarbonsaeure ; 8-Methoxy-6-nitrophenanthol (3,4-d) 1,3-dioxole-5-carboxylic acid ; Aristolochiazaeure ; Aristolochic acid A ; Aristolochic acid-I ; Aristolochin ; BRN 0345159 ; Birthwort ; CCRIS 1544 ; EINECS 206-238-3 ; NSC 11926 ; NSC 50413 ; NSC-50413 ; Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro- ; TR 1736 ; Tardolyt
Density: 1.571 g/cm3
Flash Point: 326 °C
Index of Refraction: 1.747
Boiling Point: 615.5 °C at 760 mmHg
Vapour Pressure: 5.24E-16 mmHg at 25°C
Melting point: 260 °C
Storage temp: 2-8°C
Water solubility: Soluble
Solubility: DMSO: soluble
Form: Powder
Color: Yellow
Product categories: Intermediates & Fine Chemicals;Pharmaceuticals
Structure of Aristolochic acid (CAS NO.313-67-7):
XLogP3-AA: 3.6
H-Bond Donor: 1
H-Bond Acceptor: 7
IUPAC Name: 8-Methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid
Canonical SMILES: COC1=CC=CC2=C3C(=C(C=C21)[N+](=O)[O-])C(=CC4=C3OCO4)C(=O)O
InChI: InChI=1S/C17H11NO7/c1-23-12-4-2-3-8-9(12)5-11(18(21)22)14-10(17(19)20)6-13-16(15(8)14)25-7-24-13/h2-6H,7H2,1H3,(H,19,20)
InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N
Aristolochic acid (CAS NO.313-67-7) still is present sometimes in herbal remedies (such as for weight loss), primarily because of substitution of innocuous herbs with Aristolochia species.
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
cat | LDLo | intravenous | 40mg/kg (40mg/kg) | VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION | Farmakologiya i Toksikologiya Vol. 28, Pg. 74, 1965. |
man | LDLo | intravenous | 3mg/kg/2D-I (3mg/kg) | KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" | Cancer Chemotherapy Reports. Vol. 42, Pg. 35, 1964. |
mouse | LD50 | intraperitoneal | 14320ug/kg (14.32mg/kg) | Guangxi Yixue. Kuanghsi Medicine. Vol. (6), Pg. 2, 1981. | |
mouse | LD50 | intravenous | 38400ug/kg (38.4mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Toxicology. Vol. 59, Pg. 328, 1987. |
mouse | LD50 | oral | 55900ug/kg (55.9mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Toxicology. Vol. 59, Pg. 328, 1987. |
rabbit | LDLo | intraperitoneal | 1500ug/kg (1.5mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS | Farmakologiya i Toksikologiya Vol. 28, Pg. 74, 1965. |
rat | LD50 | intravenous | 74mg/kg (74mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA | Archives of Toxicology. Vol. 59, Pg. 328, 1987. |
rat | LD50 | oral | 184mg/kg (184mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA | Archives of Toxicology. Vol. 59, Pg. 328, 1987. |
Hazard Codes: T
Risk Statements: 25
R25: Toxic if swallowed.
Safety Statements: 7-35-45
S7: Keep container tightly closed.
S35: This material and its container must be disposed of in a safe way.
S45: In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1544 6.1/PG 3
WGK Germany: 3
RTECS: CF3325000
HazardClass: 6.1(b)
PackingGroup: III
Confirmed carcinogen. Poison by ingestion, intraperitoneal, and intravenous routes. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx.
Aristolochic acid (CAS NO.313-67-7) is composed of a ~1:1 mixture of two forms, aristolochic acid I and aristolochic acid II ,and is a rodent carcinogen found in Aristolochia and Asarum, both in the Aristolochiaceae family of plants.In addition to its carcinogenicity, it is also highly nephrotoxic and may be a causative agent in Balkan nephropathy.
It 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 immediatelyfor at least 15 minutes while removing contaminated clothing. Secondly,Get shoesmedical 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.
In addition, Aristolochic acid (CAS NO.313-67-7) is not compatible with strong oxidizing agents, strong bases, alkalies,and you must not take it with excess heat, direct sunlight and incompatible materials.And also prevent it to broken down into hazardous decomposition products: oxides of nitrogen,carbon dioxide,carbon monoxide.