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Substance Name: Thalicarpine
RN: 5373-42-2
UNII: 8X1D791RF6
InChIKey: ZCTJIMXXSXQXRI-KYJUHHDHSA-N

Note

  • Obtained from Thalictrum dasycarpum.

Molecular Formula

  • C41-H48-N2-O8

Molecular Weight

  • 696.836
 

Classification Codes

  • Drug / Therapeutic Agent
  • Mutation Data
  • Natural Product
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Names and Synonyms

Name of Substance

  • Thalicarpine

Synonyms

  • En 125-214
  • NSC 68075
  • NY IV-34-1
  • NY-IV-34-1
  • Taliblastin
  • Taliblastine
  • TBL
  • Thaliblastine
  • Thalicarpin
  • Thalicarpine
  • UNII-8X1D791RF6

Systematic Names

  • 4H-Dibenzo(de,g)quinoline, 5,6,6a,7-tetrahydro-9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-1,2,10-trimethoxy-6-methyl-
  • 4H-Dibenzo(de,g)quinoline, 9-(4,5-dimethoxy-2-((1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolinyl)methyl)phenoxy)-5,6,6a,7-tetrahydro-1,2,10-trimethoxy-6-methyl-, (S-(R*,R*))- (9CI)
  • 6aalpha-Aporphine, 9-((4,5-dimethoxy-alpha-(1beta,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquinolyl)-o-tolyl)oxy)-1,2,10-trimethoxy- (8CI)

Registry Numbers

CAS Registry Number

  • 5373-42-2

FDA UNII

  • 8X1D791RF6

System Generated Number

  • 0005373422

Structure Descriptors

InChI

1S/C41H48N2O8/c1-42-12-10-23-16-32(44-3)34(46-5)20-27(23)29(42)15-26-19-33(45-4)36(48-7)22-31(26)51-37-18-25-14-30-39-24(11-13-43(30)2)17-38(49-8)41(50-9)40(39)28(25)21-35(37)47-6/h16-22,29-30H,10-15H2,1-9H3/t29-,30-/m0/s1

InChIKey

ZCTJIMXXSXQXRI-KYJUHHDHSA-N

Smiles

c12c3[C@H](Cc4c1cc(OC)c(c4)Oc1c(C[C@H]4c5c(cc(OC)c(c5)OC)CC[N@@]4C)cc(OC)c(c1)OC)[N@@](CCc3cc(c2OC)OC)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
cat LDLo intravenous 10mg/kg (10mg/kg) VASCULAR: BP LOWERING NOT CHARACTERIZED IN AUTONOMIC SECTION

CARDIAC: PULSE RATE

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Journal of Pharmaceutical Sciences. Vol. 52, Pg. 985, 1963.
dog LDLo intravenous 62600ug/kg (62.6mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

CARDIAC: OTHER CHANGES
National Technical Information Service. Vol. PB201-914,
monkey LDLo intravenous 42mg/kg (42mg/kg) SENSE ORGANS AND SPECIAL SENSES: MYDRIASIS (PUPILLARY DILATION): EYE

CARDIAC: OTHER CHANGES

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Toxicology and Applied Pharmacology. Vol. 22, Pg. 304, 1972.
mouse LD50 intraperitoneal 247mg/kg (247mg/kg)   Toxicology and Applied Pharmacology. Vol. 17, Pg. 284, 1970.
mouse LD50 intravenous 43700ug/kg (43.7mg/kg) BEHAVIORAL: EXCITEMENT

BEHAVIORAL: ATAXIA

BEHAVIORAL: MUSCLE WEAKNESS
National Technical Information Service. Vol. PB82-166299,
mouse LD50 oral 1542mg/kg (1542mg/kg)   Progress Report Submitted to the National Cancer Institute by Arthur D. Little, Inc. Vol. -, Pg. 60, 1969.
rat LD50 intraperitoneal 140mg/kg (140mg/kg)   National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. Vol. JAN1986,
rat LD50 intravenous 78300ug/kg (78.3mg/kg)   Doklady Bolgarskoi Akademii Nauk. Vol. 28, Pg. 709, 1975.
rat LD50 oral 1500mg/kg (1500mg/kg)   Doklady Bolgarskoi Akademii Nauk. Vol. 28, Pg. 709, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 160.5 deg C   EXP
log P (octanol-water) 6.070 (none)   EST
Atmospheric OH Rate Constant 4.11E-10 cm3/molecule-sec 25 EST

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