Product Name

  • Name

    DEHYDROHELIOTRINE

  • EINECS
  • CAS No. 23107-11-1
  • Article Data3
  • CAS DataBase
  • Density 1.24g/cm3
  • Solubility
  • Melting Point
  • Formula C16H25 N O5
  • Boiling Point 491.6°Cat760mmHg
  • Molecular Weight 311.378
  • Flash Point 251.1°C
  • Transport Information
  • Appearance
  • Safety Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.
  • Risk Codes
  • Molecular Structure Molecular Structure of 23107-11-1 (DEHYDROHELIOTRINE)
  • Hazard Symbols
  • Synonyms Heliotrine,3,8-didehydro- (8CI); 3,8-Didehydroheliotrine; Dehydroheliotrine
  • PSA 80.92000
  • LogP 1.39040

Dehydroheliotrine Chemical Properties

Product Name: Dehydroheliotrine (CAS NO.23107-11-1)


Molecular Formula: C16H25NO5
Molecular Weight: 311.42g/mol
Mol File: 23107-11-1.mol
Boiling point: 491.6 °C at 760 mmHg
Flash Point: 251.1 °C
Density: 1.24 g/cm3
Surface Tension: 41.6 dyne/cm
Enthalpy of Vaporization: 79.87 kJ/mol
Vapour Pressure: 1.77E-10 mmHg at 25°C
XLogP3-AA: 0.4
H-Bond Donor: 2
H-Bond Acceptor: 5
Structure Descriptors of Dehydroheliotrine (CAS NO.23107-11-1):
  IUPAC Name: [(7S)-7-hydroxy-6,7-dihydro-5H-pyrrolizin-1-yl]methyl2-hydroxy-2-(1-methoxyethyl)-3-methylbutanoate
  Canonical SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=C2C(CCN2C=C1)O)O
  Isomeric SMILES: CC(C)C(C(C)OC)(C(=O)OCC1=C2[C@H](CCN2C=C1)O)O
  InChI: InChI=1S/C16H25NO5/c1-10(2)16(20,11(3)21-4)15(19)22-9-12-5-7-17-8-6-13(18)14(12)17/h5,7,10-11,13,18,20H,6,8-9H2,1-4H3/t11?,13-,16?/m0/s1 
  InChIKey: KYSOVPPHGLNVRV-ULKWEWGCSA-N

Dehydroheliotrine Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LDLo intraperitoneal 62mg/kg (62mg/kg) LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

LIVER: OTHER CHANGES		 Chemico-Biological Interactions. Vol. 12, Pg. 299, 1976.

Dehydroheliotrine Safety Profile

Poison by intraperitoneal route. An experimental teratogen. When heated to decomposition it emits toxic fumes of NOx.

Dehydroheliotrine Specification

 Dehydroheliotrine ,its CAS NO. is 23107-11-1,the synonyms is 3,8-Didehydroheliotrine ; Heliotrine, 3,8-didehydro- ; Butanoic acid, 2-hydroxy-2-(1-methoxyethyl)-3-methyl-, (2,3-dihydro-1-hydroxy-1H-pyrrolizin-7-yl)methyl ester, (1S-(1-alpha,7(R*(S*))))- .

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