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Substance Name: Boldine
RN: 476-70-0
UNII: 8I91GE2769
InChIKey: LZJRNLRASBVRRX-ZDUSSCGKSA-N

Molecular Formula

  • C19-H21-N-O4

Molecular Weight

  • 327.378
 

Classification Codes

  • Analgesics
  • Analgesics, Non-Narcotic
  • Anti-Inflammatory Agents
  • Anti-Inflammatory Agents, Non-Steroidal
  • Antioxidants
  • Antirheumatic Agents
  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
  • Neuromuscular Agents
  • Neuromuscular Blocking Agents
  • Neuromuscular Depolarizing Agents
  • Peripheral Nervous System Agents
  • Protective Agents
  • Sensory System Agents
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Names and Synonyms

Name of Substance

  • Boldine

Synonyms

  • (S)-Boldine
  • 1,10-Dimethoxy-6a-alpha-aporphine-2,9-diol
  • 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (S)-
  • 5-21-06-00118 (Beilstein Handbook Reference)
  • Boldin
  • Boldine
  • BRN 0094036
  • EINECS 207-509-9
  • NSC 65689
  • Uniboldina
  • UNII-8I91GE2769

Systematic Names

  • 1,10-Dimethoxy-2,9-dihydroxyaporphine
  • 4H-Dibenzo(de,g)quinoline-2,9-diol, 5,6,6a,7-tetrahydro-1,10-dimethoxy-6-methyl-, (6aS)-
  • 6a-alpha-Aporphine-2,9-diol, 1,10-dimethoxy-
  • 6aalpha-Aporphine-2,9-diol, 1,10-dimethoxy- (8CI)
  • Boldine chloroform

Registry Numbers

CAS Registry Number

  • 476-70-0

FDA UNII

  • 8I91GE2769

System Generated Number

  • 0000476700

Structure Descriptors

InChI

1S/C19H21NO4/c1-20-5-4-10-7-15(22)19(24-3)18-12-9-16(23-2)14(21)8-11(12)6-13(20)17(10)18/h7-9,13,21-22H,4-6H2,1-3H3/t13-/m0/s1

InChIKey

LZJRNLRASBVRRX-ZDUSSCGKSA-N

Smiles

c12c3c4c(cc(O)c(c4)OC)C[C@@H]1[N@@](CCc2cc(c3OC)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 145mg/kg (145mg/kg)   United States Patent Document. Vol. #4185119,
mouse LD50 intravenous 90mg/kg (90mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: CHANGE IN RATE

VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION
Annales Pharmaceutiques Francaises. Vol. 38, Pg. 537, 1980.
mouse LD50 oral 450mg/kg (450mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

CARDIAC: CHANGE IN RATE
Annales Pharmaceutiques Francaises. Vol. 38, Pg. 537, 1980.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 163 deg C   EXP
log P (octanol-water) 2.430 (none)   EST
Atmospheric OH Rate Constant 3.04E-10 cm3/molecule-sec 25 EST

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