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Substance Name: Aristolochic acid
RN: 313-67-7
UNII: 94218WFP5T
InChIKey: BBFQZRXNYIEMAW-UHFFFAOYSA-N

Note

  • Phospholipase A inhibitor.

Molecular Formula

  • C17-H11-N-O7

Molecular Weight

  • 341.2739
 

Classification Codes

  • Anti-Infective Agents
  • Antiviral Agents
  • Carcinogens
  • Drug / Therapeutic Agent
  • Human Data
  • Mutagens
  • Mutation Data
  • Natural Product
  • Noxae
  • Tumor Data
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Names and Synonyms

Name of Substance

  • Aristolochic acid
  • Aristolochic acid I

Synonyms

  • 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
  • Aristolochic acid 1
  • Aristolochic acid A
  • Aristolochic acid-I
  • Aristolochin
  • Birthwort
  • BRN 0345159
  • 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-
  • Tardolyt
  • TR 1736
  • UNII-94218WFP5T

Systematic Names

  • 8-Methoxy-3,4-methylenedioxy-10-nitrophenanthrene-1-carboxylic acid
  • Aristolochic acid
  • Aristolochine
  • Phenanthro(3,4-d)-1,3-dioxole-5-carboxylic acid, 8-methoxy-6-nitro-

Registry Numbers

CAS Registry Number

  • 313-67-7

FDA UNII

  • 94218WFP5T

Other Registry Numbers

  • 12770-90-0
  • 61117-05-3

System Generated Number

  • 0000313677

Structure Descriptors

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

Smiles

COc1cccc2c1cc(c3c(cc4OCOc4c23)C(=O)O)[N+](=O)[O-]

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 40mg/kg (40mg/kg) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION

VASCULAR: BP ELEVATION NOT CHARACTERIZED IN AUTONOMIC SECTION
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)

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA
Archives of Toxicology. Vol. 59, Pg. 328, 1987.
mouse LD50 oral 55900ug/kg (55.9mg/kg) BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives of Toxicology. Vol. 59, Pg. 328, 1987.
rabbit LDLo intraperitoneal 1500ug/kg (1.5mg/kg) BEHAVIORAL: MUSCLE WEAKNESS

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Farmakologiya i Toksikologiya Vol. 28, Pg. 74, 1965.
rat LD50 intravenous 74mg/kg (74mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: ATAXIA

LUNGS, THORAX, OR RESPIRATION: DYSPNEA
Archives of Toxicology. Vol. 59, Pg. 328, 1987.
rat LD50 oral 184mg/kg (184mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: ATAXIA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Archives of Toxicology. Vol. 59, Pg. 328, 1987.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.190 (none)   EST
Atmospheric OH Rate Constant 1.63E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.